2024
Introduction to SevenNet
Data-driven Materials Modelling, Ewha Frontier 10-10 Physics, Seoul (Korea) Mar. 6 ~ Mar. 6 (Invited)
2023
Application of machine learning potentials to material simulation and discovery
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Invited)
Stability and equilibrium structures of unknown ternary metal oxides explored using machine-learned potentials
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Oral)
Kinetic Monte Carlo simulation using machine-learned potentials for assessing durability of platinum-based alloy nanoparticle catalysts for fuel cells
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Poster)
Molecular dynamics study on HF etching of amorphous Si3N4 with neural network potential
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Poster)
Constructing reactive neural network potentials for simulating TiN atomic layer deposition
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Oral)
Atomistic study of TaNx-Cu interfaces using neural network interatomic potentials
MRM2023/IUMRS-ICA2023, Kyoto (Japan) Dec. 11 ~ Dec. 16 (Poster)
Material discovery and process simulation by machine learning potential
The 7th Forum of Materials Genome Engineering, Chongqing (China) Dec. 5 ~ Dec. 7 (Invited)
Application of machine learning potentials to material simulation and discovery
The 13th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec. 4 ~ Dec. 8 (Invited)
Process simulation by machine learning potential
International Symposium on AI for Electrochemistry, Xiamen (China) Nov. 28 ~ Nov. 30 (Invited)
Investigation of Li-Ion diffusion in argyrodite solid-state electrolytes using machine-learned potentials
2023 MRS Fall meeting, Boston (USA) Nov. 26 ~ Dec. 1 (Oral)
AI-enabled active exploration of small molecules for n-charge generation layer in tandem organic light-emitting diodes
2023 MRS Fall meeting, Boston (USA) Nov. 26 ~ Dec. 1 (Oral)
Adaptive kinetic Monte Carlo simulation on platinum oxidation at electrochemical conditions using machine-learned potentials
2023 MRS Fall meeting, Boston (USA) Nov. 26 ~ Dec. 1 (Oral)
Scalable parallel algorithm for graph neural network potentials in molecular dynamics simulations
2023 MRS Fall meeting, Boston (USA) Nov. 26 ~ Dec. 1 (Oral)
Atomistic Simulation of Semiconductor Processing Using Machine Learning Potentials
The Korean International Semiconductor Conference on Manufacturing Technology 2023, Busan (Korea) Nov. 19 ~ Nov. 23 (Invited)
Material Discovery Using Machine-Learned Potentials
The 11th Pacific Rim International Conference on Advanced Materials and Processing, Jeju (Korea) Nov. 19 ~ Nov. 23 (Keynote)
Atomistic simulation of semiconductor processing using machine learning potentials
2023 Fall Conference of the Korean Institute of Metals and Materials, Daegu (Korea) Oct. 25 ~ Oct. 27 (Invited)
Process simulations by machine learning potential
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Keynote)
Exploring wet etching of GaN using molecular dynamics simulation with neural network potential
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Poster)
Investigation of TaNx-Cu interface using machine-learned potentials
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Poster)
Accurate estimation of room temperature Li-ion conductivities in argyrodite Li6PS5Cl using machine-learned potentials
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Poster)
Atomistic simulation of silicon nitride etching by fluorocarbon using machine-learned potentials
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Poster)
Description of medium-range order in amorphous GeSe by machine-learned potentials: descriptor versus graph
The 6th International Conference on Molecular Simulation, Taipei (Taiwan) Oct. 6 ~ Oct. 9 (Oral)
AI-driven exploration of organic molecules for n-charge generation layers
2023 Internanional Meeting on Information Display, Busan (Korea) Aug. 22 ~ Aug. 25 (Invited)
Developing neural network potentials for understanding atomistic-scale GaN m-surfaces after wet etching for micro-LEDs
2023 Internanional Meeting on Information Display, Busan (Korea) Aug. 22 ~ Aug. 25 (Poster)
awarded as an excellent poster
[Certificate]
기계학습 포텐셜을 이용한 반도체 공정 시뮬레이션
2023 Korea Supercomputing Conference, Seoul (Korea) Aug. 21 ~ Aug. 23 (Invited)
Stability and equilibrium structures of unknown ternary metal oxides explored using machine-learned potentials
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Machine learning potential: explained
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Invited)
Scalable parallel algorithm for graph neural network interatomic potentials in molecular dynamics simulations
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Understanding HF etching of amorphous Si3N4 by molecular dynamics with neural network potential
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Exploring Li-ion diffusion in argyrodite solid-state electrolytes using machine-learned potentials
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
awarded as an excellent poster
[Certificate]
Atomistic kinetic Monte Carlo simulation for atomic layer deposition of TiN thin film
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Atomistic study of TaNx-Cu interfaces using neural network interatomic potentials
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Insights into the durability of platinum-based alloy nanoparticle catalysts for fuel cells via kinetic Monte Carlo simulation with machine-learned potentials
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
AI-enabled active exploration of small molecules for n-charge generation layer in tandem organic light-emitting diode
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Description of medium-range order in amorphous GeSe by machine learning potentials: descriptor versus graph
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Unveiling wet etching mechanism of GaN through molecular dynamics simulations with neural network potential
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
awarded as an excellent poster
[Certificate]
Efficiency enhanncement of saddle point search algorithms with SHERPA and machine-learned potentials
The 19th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 13 ~ Jul. 14 (Poster)
Atomistic simulation of silicon nitride etching by HF using machine-learned potential
2023 Nano Korea, Ilsan (Korea) Jul. 05 ~ Jul. 07 (Oral)
Extensive heuristic exploration of undiscovered ternary metal oxides using neural network potential
2023 Nano Korea, Ilsan (Korea) Jul. 05 ~ Jul. 07 (Oral)
Developing machine-learned potential for simulating alkaline wet etching of GaN sidewall at solid-liquid interface
2023 Nano Korea, Ilsan (Korea) Jul. 05 ~ Jul. 07 (Oral)
Exploring surface reaction mechanisms in TiN-ALD using single-ended saddle point search methods
2023 Nano Korea, Ilsan (Korea) Jul. 05 ~ Jul. 07 (Oral)
Predicting the ionic conductivity of solid-state electrolyte materials via neural network potential
2023 Nano Korea, Ilsan (Korea) Jul. 05 ~ Jul. 07 (Oral)
Construction of phase diagram and material discovery using machine-learned potentials
2023 – International Conference on Processing & Manufacturing of advanced Materials, Vienna (Austria) Jul. 02 ~ Jul. 07 (Keynote)
Constructing neural network potentials for TiN ALD process simulations
2023 New Advanced in Theoretical and Computational Molecular Sciences for Complex and Quantum Processes, Seoul (Korea) Jun. 27 ~ Jun. 30 (Poster)
Development of efficient saddle points searching methods: application on oxidized platinum surface with machine-learned potentials
2023 New Advanced in Theoretical and Computational Molecular Sciences for Complex and Quantum Processes, Seoul (Korea) Jun. 27 ~ Jun. 30 (Poster)
분자 동역학 시뮬레이션을 위한 그래프 신경망 기반 기계학습 포텐셜 개발
Korea Computer Congress 2023, Jeju (Korea) Jun. 17 ~ Jun. 20 (Invited)
Neural network potential for simulating alkaline wet etching of GaN sidewall surfaces potentials
2023 NCTS-KIAS Workshop on Ab Initio Approaches to Quantum Materials, Taipei (Taiwan) Apr. 27 ~ Apr. 29 (Poster)
Investigating surface reaction mechanisms in atomic layer deposition using single-ended saddle point search algorithm
2023 NCTS-KIAS Workshop on Ab Initio Approaches to Quantum Materials, Taipei (Taiwan) Apr. 27 ~ Apr. 29 (Poster)
Ionic conductivity prediction of solid-state electrolyte materials via neural network potential
2023 NCTS-KIAS Workshop on Ab Initio Approaches to Quantum Materials, Taipei (Taiwan) Apr. 27 ~ Apr. 29 (Poster)
Application of machine learning potentials to material simulations
2023 NCTS-KIAS Workshop on Ab Initio Approaches to Quantum Materials, Taipei (Taiwan) Apr. 27 ~ Apr. 29 (Invited)
Predicting ionic conductivity of solid-state electrolyte materials using neural network potential
2023 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25 ~ Apr. 28 (Oral)
Understanding etching of Si3N4 with HF using neural network potential
2023 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25 ~ Apr. 28 (Oral)
awarded as an excellent presentation
[Certificate]
Molecular dynamics study on interfacial adhesion strength of copper interconnect layers using neural network interatomic potentials
2023 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25 ~ Apr. 28 (Oral)
Developing a machine-learned potential for simulating alkaline wet etching of GaN sidewall m surfaces
2023 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25 ~ Apr. 28 (Oral)
awarded as an excellent presentation
[Certificate]
Efficient exploration of negative charge generation materials for tandem OLED using active learning
2023 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25 ~ Apr. 28 (Poster)
Finding surface reaction mechanisms with saddle point search algorithms: a TiN-ALD case study
The 2023 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 19 ~ Apr. 21 (Oral)
AI-enabled active n-charge generation layer exploration for enhanced tandem OLED performance
The 2023 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 19 ~ Apr. 21 (Oral)
awarded as an excellent presentation
[Certificate]
Molecular dynamics study of adhesion strength at Cu/a-TaN interface using neural network interatomic potentials
The 2023 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 19 ~ Apr. 21 (Oral)
Simulation of materials and processes using machine learning approaches
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Keynote)
Predicting ionic conductivity for solid-state electrolytes via neural network potential
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
awarded as an excellent presentation
[Certificate]
AI-enabled active n-charge generation layer exploration for enhanced tandem OLED performance
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
Predicting crystal structure of mixed-halide inorganic perovskites at finite temperature using neural network potentials
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
Discovery of unknown ternary metal oxides through extensive heuristic exploration using neural network potential
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
Accurate machine-learned potential for electronic structure analysis of large-scale amorphous GeSe
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
Atomistic simulation of silicon nitride etching by HF using machine-learned potential
2023 Spring meeting of the Korean Ceramic Society, Jeju (Korea) Apr. 12 ~ Apr. 14 (Oral)
Predicting ionic conductivity for solid-state electrolytes via neural network potential
2023 Spring Meeting & Academic Presentation of the Korean Electrochemical Society, Jeju (Korea) Apr. 5 ~ Apr. 7 (Oral)
awarded as an excellent presentation
[Certificate]
Durability estimation of platinum-based binary and ternary alloy nanoparticle catalysts for fuel cells using machine learning-based kinetic Monte Carlo simulation
2023 Spring Meeting & Academic Presentation of the Korean Electrochemical Society, Jeju (Korea) Apr. 5 ~ Apr. 7 (Oral)
Constructing comprehensive reaction tables using machine-learned interatomic potentials: application on oxidized Pt (111) surface
2023 Spring Meeting & Academic Presentation of the Korean Electrochemical Society, Jeju (Korea) Apr. 5 ~ Apr. 7 (Oral)
Machine-learned potential: present status and perspective
지혜와 데이터가 개척되는 전자 신재료 개발 거점 킥오프 심포지엄, Online (Japan) Jan. 12 ~ Jan. 12 (Invited)
2022
Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
2022 MRS Fall meeting, Boston (USA) Nov. 27 ~ Dec. 2 (Poster)
Development of neural network interatomic potential for simulating evolution of Pt3Co nanoparticles under electrochemical conditions
2022 MRS Fall Meeting, Boston (USA) Nov. 27 ~ Dec. 2 (Poster)
Crystal structure prediction of mixed-halide perovskites at room temperature using machine-learning potentials
2022 MRS Fall meeting, Boston (USA) Nov. 27 ~ Dec. 2 (Oral)
Machine learning potentials enabling realistic material simulation and accelerated material discovery
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 ~ Nov. 9 (Invited)
The study of Li-doped BPhen in charge-generation layer of organic light-emitting diodes via density functional theory
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 ~ Nov. 9 (Oral)
Identification of unexplored ternary metal oxide high-k dielectrics through a large scale heuristic approach using machine learning potentials
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea)
Nov. 6 ~ Nov. 9
(Poster)
awarded as excellent poster
[Certificate]
Phase stability of cesium lead mixed-halides: crystal structure prediction with a neural network potential
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea)
Nov. 6 ~ Nov. 9
(Oral)
awarded as an excellent presentation
[Certificate]
Atomistic modeling on atomic layer deposition of titanium nitride using kinetic Monte Carlo simulation
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 ~ Nov. 9 (Poster)
Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea)
Nov. 6 ~ Nov. 9
(Poster)
awarded as excellent poster
[Certificate]
First-principles analysis of Ga and N vacancies on GaN m plane
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea)
Nov. 6 ~ Nov. 9
(Poster)
awarded as excellent poster
[Certificate]
Structural evolution of Pt3Co nanoparticles described by kinetic Monte Carlo simulation combined with neural network potentials
The 7th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea)
Nov. 6 ~ Nov. 9
(Oral)
awarded as an excellent presentation
[Certificate]
Understanding atomic layer deposition of TiN thin film using an on-lattice kinetic Monte Carlo model
2022 Fall meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 26 ~ Oct. 28 (Poster)
A computational study on Li-doped BPhen in charge-generation layer of organic light-emitting diodes
2022 Fall meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 26 ~ Oct. 28 (Poster)
Identification of unexplored missing ternary metal oxides with machine learning potentials: finding high-k dielectric materials
2022 Fall meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 26 ~ Oct. 28 (Poster)
First-principles analysis of Ga and N vacancies on GaN m plane
2022 Fall meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 26 ~ Oct. 28 (Poster)
Training machine learning potential for gas-solid reactions: application to Si3N4 etching by HF
2022 Fall meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 26 ~ Oct. 28 (Poster)
Machine-learned potential: current status and perspective
2022 Fall Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Oct. 26 ~ Oct. 28 (Invited)
Efficient active discovery method for exploring the promising materials for the n-charge generation layer in tandem organic light-emitting diode
2022 Fall Conference of the Korean Institute of Metals and Materials, Jeju (Korea)
Oct. 26 ~ Oct. 28
(Oral)
awarded as an excellent presentation
[Certificate]
Investigating the disordering of Li3YCl6 via neural network potential
2022 Fall Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Oct. 26 ~ Oct. 28 (Poster)
Study on chalcogenide based ovonic threshold switch through machine learned potential
2022 Fall Conference of the Korean Institute of Metals and Materials, Jeju (Korea)
Oct. 26 ~ Oct. 28
(Poster)
awarded as excellent poster
[Certificate]
Simulation of silicon nitride plasma etching using neural network potential
2022 Fall Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Oct. 26 ~ Oct. 28 (Poster)
Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
KPS 70th Anniversary and 2022 Fall Meeting, Busan (korea)
Oct. 18 ~ Oct. 21
(Oral)
awarded as an excellent presentation
[Certificate]
Machine-learned potentials: current status and perspectives
KPS 70th Anniversary and 2022 Fall Meeting, Busan (korea) Oct. 18 ~ Oct. 21 (Invited)
Development of the machine-learned interatomic potential for platinum oxidation and its connection to kinetic Monte Carlo simulation
KPS 70th Anniversary and 2022 Fall Meeting, Busan (korea) Oct. 18 ~ Oct. 21 (Poster)
First-principles analysis of vacancies on GaN m plane
The 22th International Meeting on Information Display, Busan (Korea) Aug. 23 ~ Aug. 26 (Oral)
Machine learning potential for reactions in atomic layer deposition
The 18th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 07 ~ Jul. 08 (Poster)
First-principles study on Li-doped BPhen in n-type charge-generation layer of organic light-emitting diode
The 18th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul. 07 ~ Jul. 08 (Poster)
Identification of unexplored ternary metal oxides via crystal structure prediction using machine learning potentials
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
First-principles study on Li-doped BPhen in charge-generation layer of organic light-emitting diodes
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
Constructing melting temperature prediction model for general crystal structures by using transfer learning of geometric-information-enhanced crystal graph neural network
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
Degradation of Pt3Co nanoparticle in electrochemical environment: adaptive kinetic Monte Carlo simulation using neural network potentials
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
Modeling atomic layer deposition of TiN thin film using on-lattice kinetic Monte Carlo simulation
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
First-principles analysis of native vacancies on GaN m plane
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Poster)
Crystal structure prediction of cesium lead halide perovskites using a neural network potential
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Oral)
Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Oral)
Construction of full phase diagram for MgO-CaO eutectic system using machine learning potentials
2022 Nano Korea, Ilsan (Korea) Jul. 06 ~ Jul. 08 (Oral)
Exploring undiscovered material space with SPINNER: application to missing ternary metal oxides
2022 Spring Conference of the Korean Institute of Metals and Materials, Changwon & Online (Korea) Apr. 27 ~ Apr. 29 (Oral)
awarded as an excellent presentation
[Certificate]
Neural network potential for reaction in atomic layer deposition process
The 2022 Spring Meeting of the Korean Physical Society, Online (Korea) Apr. 20 ~ Apr. 23 (Poster)
Fast computation of lattice thermal conductivity using machine learning interatomic potentials
The 2022 Spring Meeting of the Korean Physical Society, Online (Korea) Apr. 20 ~ Apr. 23 (Poster)
Crystal structure prediction of mixed-halide perovskites using a machine-learning potential
The 2022 Spring Meeting of the Korean Physical Society, Online (Korea) Apr. 20 ~ Apr. 23 (Oral)
awarded as an excellent presentation
[Certificate]
DFT-based kinetic Monte Carlo study of TiN film growth in atomic layer deposition
2022 KIChE Spring Meeting Symposium, Jeju (Korea) Apr. 20 ~ Apr. 23 (Oral)
Kinetic Monte Carlo simulation of Pt3Co alloy nanoparticle on the electrochemical environment by neural network potential
2022 Spring meeting of the Korean Ceramic Society, Yeosu (Korea) Apr. 13 ~ Apr. 15 (Poster)
Accelerated computation of lattice thermal conductivity using neural network interatomic potentials
2022 Spring meeting of the Korean Ceramic Society, Yeosu (Korea) Apr. 13 ~ Apr. 15 (Oral)
First-principles characterization of Ga and N vacancies on GaN m plane
2022 Spring meeting of the Korean Ceramic Society, Yeosu (Korea) Apr. 13 ~ Apr. 15 (Oral)
A computational method for electronic structures of doped OLED amorphous materials: an extensive study on Li-doped BPhen
2022 Spring meeting of the Korean Ceramic Society, Yeosu (Korea) Apr. 13 ~ Apr. 15 (Oral)
Exploring undiscovered material space with SPINNER: application to missing ternary metal oxides
제 17차 유전체 연합 심포지엄, Online (Korea) Feb. 13 ~ Feb. 15 (Poster)
2021
Accelerated crystal structure search for multinary phases—introduction to SPINNER framework and its application
2021 MRS fall meeting, Online (USA) Dec. 6 ~ Dec. 8 (Oral)
Exciton-phonon coupling of real-size quantum dots by machine-learning potential—an excellent agreement between theory and experiment
2021 MRS fall meeting, Online (USA) Dec. 6 ~ Dec. 8 (Oral)
Degradation evolution of Pt alloy nanoparticle via kinetic Monte Carlo simulation driven by neural network potentials
2021 MRS fall meeting, Online (USA) Dec. 6 ~ Dec. 8 (Poster)
Kinetic Monte Carlo study of the atomic layer deposition of titanium nitride
2021 MRS fall meeting, Online (USA) Dec. 6 ~ Dec. 8 (Poster)
Accelerating lattice thermal conductivity calculations with neural network potentials
2021 MRS fall meeting, Online (USA) Dec. 6 ~ Dec. 8 (Oral)
A study of titanium nitride thin film growth in the atomic layer deposition process by multi-scale simulation
2021 Fall meeting of the Korean Ceramic Society, Jeju & Online (Korea) Nov. 3 ~ Nov. 5 (Poster)
Missing ternary oxides: yet-to-be-synthesized or unsynthesizable?
2021 Fall meeting of the Korean Ceramic Society, Jeju & Online (Korea) Nov. 3 ~ Nov. 5 (Keynote)
Efficient computation of lattice thermal conductivity with neural network potential
2021 Fall meeting of the Korean Ceramic Society, Jeju & Online (Korea) Nov. 3 ~ Nov. 5 (Oral)
Pushing the limit of crystal structure prediction with machine learning potential: an unprecedented blind test
2021 Fall meeting of the Korean Ceramic Society, Jeju & Online (Korea) Nov. 3 ~ Nov. 5 (Oral)
A new automated protocol for melt-quench simulations
The 2021 Fall Meeting of the Korean Physical Society, Online (Korea) Oct. 20 ~ Oct. 22 (Poster)
Pushing the limit of crystal structure prediction with machine learning potential: a first extensive blind test
The 2021 Fall Meeting of the Korean Physical Society, Online (Korea) Oct. 20 ~ Oct. 22 (Oral)
awarded as an excellent presentation
[Certificate]
Unraveling the effect for the durability of Pt-Co alloy nanoparticle electrocatalyst via kinetic Monte Carlo simulation driven by machine learning potential
The 2021 Fall Meeting of the Korean Physical Society, Online (Korea) Oct. 20 ~ Oct. 22 (Oral)
Simulation of Pt alloy nanoparticle degradation in fuel cell via kinetic Monte Carlo method with neural network potential
2021 Fall Conference of the Korean Institute of Metals and Materials, Jeju & Online (Korea) Oct. 20 ~ Oct. 22 (Poster)
awarded as excellent poster
[Certificate]
Fast prediction of crystal structure by machine-learning potential
2021 Nano Korea, Seoul (Korea) Jul. 07 ~ Jul. 09 (Oral)
Neural network potential based kinetic Monte Carlo study of the degradation mechanism of Pt-Co nanoparticles
2021 Nano Korea, Online (Korea) Jul. 07 ~ Jul. 09 (Poster)
Surface thermal oxidation simulated by neural network potential
2021 Nano Korea, Online (Korea) Jul. 07 ~ Jul. 09 (Poster)
Semiconducting inorganic materials band-gap database with hybrid functional accuracy
2021 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong & Online (Korea) Apr. 28 ~ Apr. 30 (Oral)
awarded as an excellent presentation
[Certificate]
Simulation of phase change materials using neural network potential
2021 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong & Online (Korea) Apr. 28 ~ Apr. 30 (Invited)
Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials
2021 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong & Online (Korea) Apr. 28 ~ Apr. 30 (Oral)
A novel CO2 reduction mechanism to multi-carbon products: a lesson from homogeneous catalysis
2021 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong & Online (Korea) Apr. 28 ~ Apr. 30 (Oral)
Search for CO2 reduction reaction catalysts: computational screening of transition-metal dichalcogenides
2021 KIChE Spring Meeting Symposium, Busan (Korea) Apr. 21 ~ Apr. 23 (Poster)
Unraveling degradation mechanism of PtCo nanoparticle electrocatalyst by combining kinetic Monte Carlo simulation and machine-learning potential
The 2021 Spring Meeting of the Korean Physical Society, Online (Korea) Apr. 21 ~ Apr. 23 (Invited)
Unique challenges on NNP development and ways to overcome them
2021 MRS spring meeting, Online (USA) Apr. 17 ~ Apr. 23 (Oral)
Semiconducting inorganic materials database: a band-gap database calculated with hybrid functional
2021 MRS spring meeting, Online (USA) Apr. 17 ~ Apr. 23 (Poster)
Efficient sampling for training set of machine learning potentials using metadynamics
2021 MRS spring meeting, Online (USA) Apr. 17 ~ Apr. 23 (Poster)
Developing machine-learning potentials from disordered structures for crystal structure prediction
2021 MRS spring meeting, Online (USA) Apr. 17 ~ Apr. 23 (Poster)
awarded as excellent poster
[Certificate]
Atomistic molecular dynamics simulation for semiconductor processes using neural network potentials
The 28th Korean Conference on Semiconductors, Online (Korea) Jan. 25 ~ Jan. 29 (Invited)
2020
Combining machine learning and first-principles methods for the accurate calculation of emission spectra of realistic-size quantum dots
2020 MRS fall meeting, Online (USA) Nov. 27 ~ Dec. 4 (Oral)
Novel solid-state Li-Ion conductor by computational design and high-throughput screening
2020 MRS fall meeting, Online (USA) Nov. 27 ~ Dec. 4 (Oral)
Efficient uncertainty estimation of neural network potentials with atomic-level resolution enabled by replica ensemble
2020 MRS fall meeting, Online (USA) Nov. 27 ~ Dec. 4 (Oral)
Hybrid functional band-gap database for semiconducting inorganic materials
2020 International Symposium on Hybrid Materials and Processing, Online & Busan (Korea) Nov. 24 ~ Nov. 27 (Poster)
Autonomous generation of training data for machine learning potentials via metadynamics sampling
2020 Fall meeting of the Korean Ceramic Society, Online & Daejeon (Korea) Nov. 23 ~ Nov. 25 (Poster)
Training neural network potentials with disordered structures for crystal structure prediction
2020 Fall meeting of the Korean Ceramic Society, Online & Daejeon (Korea) Nov. 23 ~ Nov. 25 (Poster)
Semiconducting inorganic materials database: a band-gap database calculated with hybrid functional
2020 Fall meeting of the Korean Ceramic Society, Online & Daejeon (Korea) Nov. 23 ~ Nov. 25 (Oral)
Computational screening of transition-metal dichalcogenides for CO2 reduction reaction
2020 Fall Meeting of the Korean Ceramic Society, Online & Daejeon (Korea) Nov. 23 ~ Nov. 25 (Poster)
Machine learning potentials enabling large-scale simulation and accelerated material discovery
The 6th International Conference on Electronic Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 1 ~ Nov. 4 (Invited)
Exploring unknown inorganic crystals using neural network potentials
2020 Fall Conference of the Korean Institute of Metals and Materials, Online (Korea) Oct. 28 ~ Oct. 30 (Invited)
Calculation of luminescence spectra of experimental-size quantum dots by combining first-principles and machine learning methods
2020 Fall Conference of the Korean Institute of Metals and Materials, Online (Korea) Oct. 28 ~ Oct. 30 (Oral)
awarded as an excellent presentation
[Certificate]
Atomic-resolution uncertainty estimation of neural network potentials by a replica ensemble
2020 Fall Conference of the Korean Institute of Metals and Materials, Online (Korea) Oct. 28 ~ Oct. 30 (Oral)
Machine learning potentials enabling large-scale simulation and accelerated material discovery
4th Forum of Materials Genome Engineering, Mianyang (China) Oct. 22 ~ Oct. 23 (Invited)
Atomistic molecular dynamics simulation for semiconductor processes using neural network potentials
2020 Korea Supercomputing Conference, Online (Korea) Sep. 23 ~ Sep. 24 (Invited)
Accurate prediction of luminescence spectra of realistic-size quantum dots by combining first-principles and machine learning methods
The 20th International Meeting on Information Display, Online (Korea) Aug. 25 ~ Aug. 28 (Oral)
Computational screening of transition-metal dichalcogenides for CO2 reduction reaction at anion vacancies
2020 Spring Conference of the Korean Institute of Metals and Materials, Online (Korea) Jul. 15 ~ Jul. 17 (Poster)
A new automation code for density functional theory calculation : AMP2
2020 Spring Conference of the Korean Institute of Metals and Materials, Online (Korea) Jul. 15 ~ Jul. 17 (Poster)
Accelerated material discovery using machine-learning potentials
2020 Spring Meeting of the Korean Ceramic Society, Online (Korea) Jul. 6 ~ Jul. 9 (Invited)
High-throughput approach to search for new phase-change materials
2020 Spring Meeting of the Korean Ceramic Society, Online (Korea) Jul. 6 ~ Jul. 9 (Poster)
Accurate prediction of luminescence spectra of thousand-atom quantum dots by combining first-principles calculation and machine learning
2020 Spring Meeting of the Korean Ceramic Society, Online (Korea) Jul. 6 ~ Jul. 9 (Oral)
Development of the neural network potential via atomic energy training
2020 Spring Meeting of the Korean Ceramic Society, Online (Korea) Jul. 6 ~ Jul. 9 (Poster)
Machine learning potentials enabling large-scale simulation and accelerated material discovery
2020 Nano Korea, Online (Korea) Jul. 1 ~ Jul. 3 (Invited)
2019
Computational design of solid-state electrolytes for all-solid-state Li batteries
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Poster)
Constructing reliable machine-learning potential for solid-state reaction: example of Ni silicidation
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Oral)
High-throughput screening of p-type transparent oxide semiconductors
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Poster)
Metadynamics sampling for training machine-learning interatomic potential
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Poster)
Ab initio mechanism study and material screening of transition-metal dichalcogenides for CO2 reduction catalysis
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Poster)
First-principles study on the fundamental limit in the homogeneous linewidth of CdSe quantum dot
2019 MRS fall meeting, Boston (USA) Dec. 1 ~ Dec. 6 (Poster)
awarded as Joule poster award
[Certificate]
Development of artificial neural network potential for Sb2Te3
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Development and application of neural network potential for GeTe
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Atomic energy mapping of neural-network potential
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Invited)
AMP2: a new program for automated density functional theory calculation
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Computational screening of transition-metal dichalcogenides for CO2 reduction reaction
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Effects of training the stress tensor in neural network potential
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Constructing reliable neural network potential for metal-silicon interface reaction
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Oral)
Large-scale computational identification of p-type oxide semiconductors
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Metadynamic sampling for machine-learning interatomic potential
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Screening for phase-change materials using high-throughput ab initio calculations.
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
awarded as excellent poster
[Certificate]
First-principles calculation of the luminescence linewidth of CdSe quantum dot
The 5th International Conference on Molecular Simulation, Jeju (Korea) Nov. 3 ~ Nov. 6 (Poster)
Atomistic simulation of nickel-nilicon interface reaction by machine-learning interatomic potential
2019 Fall Conference of the Korean Institute of Metals and Materials, Daegu (Korea) Oct. 23 ~ Oct. 25 (Oral)
First-principles investigation on the fundamental limit in the linewidth of CdSe nanocrystal
2019 Fall Conference of the Korean Institute of Metals and Materials, Daegu (Korea) Oct. 23 ~ Oct. 25 (Oral)
Discovery of new phase-change materials using high-throughput calculations
2019 Korea Supercomputing Conference, Seoul (Korea) Sep 5 ~ Sep 6 (Poster)
awarded as excellent poster
[Certificate]
Neural network interatomic potentials: fast and accurate way for molecular dynamics simulations – with example of metal-silicon interface reaction
2019 Korea Supercomputing Conference, Seoul (Korea) Sep 5 ~ Sep 6 (Poster)
Neural network potential: fundamentals and applications
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Invited)
How to prepare neural network potentials for advanced bond breaking and forming materials simulations
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Atomic energy mapping of neural network interatomic potential
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Development of neural network potential: a case study of GeTe
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Neural network potential for Sb2Te3
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Screening phase-change materials by high-throughput ab initio calculations
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
awarded as excellent poster
[Certificate]
Theoretical study for chemical principles of p-type oxides via high-throughput approach
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
SIMPLE-NN: an efficient package for training and running neural network interatomic potentials
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Screening of transition-metal dichalcogenide monolayers for CO2 reduction reaction on basal plane
The 15th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jul 4 ~ Jul 5 (Poster)
Dynamic bond breaking and forming simulations on advanced material systems by neural network potential
2019 Nano Korea, KINTEX, Gyeonggi-do (Korea) Jul. 3 ~ Jul. 5 (Oral)
First-principles study of the conduction mechanism of CuI:Sn
2019 Nano Korea, KINTEX, Gyeonggi-do (Korea) Jul. 3 ~ Jul. 5 (Oral)
Computational study of CO2 reduction into multi-carbon species at anion vacancy of transition-metal dichalcogenides
2019 Nano Korea, KINTEX, Gyeonggi-do (Korea) Jul. 3 ~ Jul. 5 (Oral)
Data-driven material research based on first-principles calculations
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Invited)
Development of neural network potentials for chalcogenides
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore)
Jun. 23 ~ Jun. 28
(Poster)
awarded as excellent poster
[Certificate]
Electrocatalytic conversion of CO2 into multi-carbon products at anion vacancy of transition-metal dichalcogenides: a computational study
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Oral)
Atomic energy of high-dimensional neural network potential
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Poster)
Study for chemical properties of p-type oxides via high-throughput screening
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Poster)
Dynamic bond breaking and forming simulations by uniformly-trained classical machine-learning potential
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Oral)
SIMPLE-NN: an efficient package for optimizing and executing neural-network interatomic potentials
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Poster)
Theoretical study on the conduction mechanism of Sn-doped amorphous CuI
10th International Conference on Materials for Advanced Technologies, Singapore (Singapore) Jun. 23 ~ Jun. 28 (Poster)
Electrochemical conversion of CO2 into CN products at anion vacancy of transition-metal dichalcogenides—a computational mechanism study and material screening
2019 MRS spring meeting, Phoenix (US) Apr. 22 ~ Apr. 26 (Oral)
2018
Reliable and transferable machine-learning potentials by overcoming sampling bias
2018 MRS fall meeting, Boston (US) Nov. 25 ~ Nov. 30 (Oral)
Neural network potentials molecular dynamics simulations of Ni silicidation
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 11 - Nov. 14 (Poster)
Theoretical prediction of electrochemical CO2 reduction at sulfur Vacancy of MoS2
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 11 - Nov. 14 (Poster)
Towards reliable and transferable neural network potentials
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 11 - Nov. 14 (Invited)
First-principles Investigation on Al Doping in SrTiO3
The 21st Asian workshop on first-principles electronic structure calculations, Deajeon (Korea) Oct. 29 ~ Oct. 31 (Poster)
First-principles study on negative-U character of K centers in amorphous Si3N4-x
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Poster)
SIMPLE-NN: an efficient package for generating and running neural network potentials
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Poster)
Simulation of large-scale GeTe using neural network interatomic potential
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Poster)
Classical neural network potential learning DFT results: a new frontier in material science
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Invited)
Computational Screening for p-type Semiconducting Oxides
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Oral)
Non-oxide high-k materials screening through automated ab initio calculations
2018 Fall Conference of the Korean Institute of Metals and Materials, Daejeon (Korea) Oct. 24 ~ Oct. 26 (Poster)
Molecular dynamics study on interface structure of vapor-deposited amorphous organic thin film
The 2018 Fall Meeting of the Korean Physical Society, Changwon (Korea) Oct. 24 ~ Oct. 26 (Poster)
Classical neural network potential learning DFT results: a new frontier in condensed matter physics
The 2018 Fall Meeting of the Korean Physical Society, Changwon (Korea) Oct. 24 ~ Oct. 26 (Invited)
Oxygen vacancy in amorphous oxide semiconductors: A hybrid density functional molecular dynamics study
7th International symposium on transparent conductive materials, Crete (Greece) Oct. 14 ~ Oct. 19 (Poster)
High-throughput approach to search for p-type transparent oxide semiconductors
7th International symposium on transparent conductive materials, Crete (Greece) Oct. 14 ~ Oct. 19 (Oral)
Non-oxide high-k materials screened by high-throughput ab initio calculations
7th International symposium on transparent conductive materials, Crete (Greece) Oct. 14 ~ Oct. 19 (Oral)
Ab-initio calculations on Al-doped SrTiO3
KCS 122nd General Meeting, Daegu (Korea) Oct. 17 ~ Oct. 19 (Poster)
Unveiling C1, C2 and C3 mechanism of electrochemical CO2 reduction at sulfur vacancy of MoS2: Ab initio study
KCS 122nd General Meeting, Daegu (Korea) Oct. 17 ~ Oct. 19 (Oral)
Dynamic and reactive molecular dynamics simulation on metal-silicon interface by neural network potential
KCS 122nd General Meeting, Daegu (Korea) Oct. 17 ~ Oct. 19 (Poster)
Classical neural network potential learning DFT results: a new frontier in physical chemistry
KCS 122nd General Meeting, Daegu (Korea) Oct. 17 ~ Oct. 19 (Invited)
Molecular dynamics study on interface structure of vapor-deposited organic thin film
IUMRS-ICEM 2018, Daejeon (Korea) Aug. 19 ~ Aug. 24 (Poster)
Effects of post-transition metal doping on atomic and electronic strcutures of amorphous Ge2Sb2Te5
IUMRS-ICEM 2018, Daejeon (Korea) Aug. 19 ~ Aug. 24 (Poster)
Computational screening for p-type transparent oxidesemiconductors
IUMRS-ICEM 2018, Daejeon (Korea) Aug 19 ~ Aug 24 (Poster)
Classical neural network potential learning DFT results
The 12th Japan-Korea Conference on Ferroelectrics (JKC-FE12), Nara (Japan) Aug. 5 ~ Aug. 8 (Invited)
First-principles study on Al doping in SrTiO3
The 12th Japan-Korea Conference on Ferroelectrics (JKC-FE12), Nara (Japan) Aug. 5 ~ Aug. 8 (Poster)
Atomic and electronic structures of Al-, Zn-, and Ga-doped Ge2Sb2Te5
The 12th Japan-Korea Conference on Ferroelectrics (JKC-FE12), Nara (Japan) Aug. 5 ~ Aug. 8 (Poster)
Ab-initio study on charge trapping K centers in amorphous Si34
The 12th Japan-Korea Conference on Ferroelectrics (JKC-FE12), Nara (Japan) Aug. 5 ~ Aug. 8 (Poster)
SNU Materials Data Center (SNUMDC): The efficient and high performance material database platform
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Electrochemical CO2 reduction reaction at sulfur vacancy of MoS2: Role of hyper-charged states
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
First-principles study on K center in nitrogen-deficient amorphous Si3N4
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Atomic energies of high-dimensional neural network potential
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
awarded as excellent poster
[Certificate]
First-principles study of metal-doped amorphous Ge2Sb2Te5
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Screening non-oxide high-k materials by high-throughput ab Initio calculations
The 14th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Overcoming the sampling bias problem in neural network potentials using Gaussian density function
The 14th KIAS Electronic Structure Calculation Workshop, Seoul(Korea) Jun. 21 ~ Jun. 22 (Poster)
Ab-initio calculations on Aluminum dopant in SrTiO3
The 14th KIAS Electronic Structure Calculation Workshop, Seoul(Korea) Jun.21 ~ Jun. 22 (Poster)
SIMPLE-NN: an efficient package for training and running neural network interatomic potentials
IAQMS 16-ICQC Satellite Conference on Computational Chemistry meets Artificial Intelligence, Lausanne (Switzerland) Jun. 13 ~ Jun. 15 (Poster)
Atomic energy mapping of high-dimensional neural network potential
IAQMS 16-ICQC Satellite Conference on Computational Chemistry meets Artificial Intelligence, Lausanne (Switzerland) Jun. 13 ~ Jun. 15 (Poster)
Towards reliable and transferable neural network potentials: homogeneous training by overcoming sampling bias
IAQMS 16-ICQC Satellite Conference on Computational Chemistry meets Artificial Intelligence, Lausanne (Switzerland) Jun. 13 ~ Jun. 15 (Poster)
High-throughput screening for novel p-type transparent semiconducting oxides using hydrogen descriptor
APS March meeting 2018, Los angeles (USA) Mar. 5 ~ Mar. 9 (Oral)
High-throughput screening of p-type transparent oxide semiconductors using hydrogen descriptor
제 14차 유전체 연합 심포지엄, Muju Feb.4 ~ Feb.5 (Invited)
Atomic and electronic structures of C-doped Ge2Sb2Te5
제 14차 유전체 연합 심포지엄, Muju (Korea) Feb. 4 ~ Feb. 5 (Poster)
First-principles study on characteristics of charge trap in amorphous Si3N4-x
제 14차 유전체 연합 심포지엄, Muju (Korea) Feb. 2 ~ Feb. 5 (Poster)
2017
Theoretical investigation of vertical MoS2 p-n junction and application as a hydrogen evolution reaction catalyst
2017 MRS fall meeting, Boston (US) Nov. 26 ~ Dec. 1 (Poster)
Discovery of new p-type transparent oxide semiconductors using hydrogen descriptor
Car-Parrinello Molecular Dynamics in 2017, Tsukuba (Japan) Oct. 18 ~ Oct. 20 (Invited)
Development of neural network interatomic potential and improve its reliability using training data analysis
Car-Parrinello Molecular Dynamics in 2017, Tsukuba (Japan) Oct. 18 ~ Oct. 20 (Poster)
Molecular orientation in vapor-deposited organic semiconductors and its effect on charge transport
Car-Parrinello Molecular Dynamics in 2017, Tsukuba (Japan) Oct. 18 ~ Oct. 20 (Poster)
Non-oxide high-k materials screened by automated ab initio calculations
Car-Parrinello Molecular Dynamics in 2017, Tsukuba (Japan) Oct. 18 ~ Oct. 20 (Poster)
Reliability and transferability of neural network interatomic potential in perspective of training-set sampling density
2017 Fall Meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 11 ~ Oct. 13 (Invited)
Ab-initio study of MoS2 p-n junction and application as a hydrogen evolution reaction catalyst
2017 Fall Meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 11 ~ Oct. 13 (Oral)
First principles study of spin small bipolaron in TiO2
2017 Fall Meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 11 ~ Oct. 13 (Oral)
Developing neural network interatomic potential and tunable force weighting for defective systems
2017 Fall Meeting of the Korean Ceramic Society, Seoul (Korea) Oct. 11 ~ Oct. 13 (Oral)
awarded as excellent paper
[Certificate]
Effect of molecular orientation on hole carrier transport: multiscale computational simulation study
The 17th International Meeting on Information Display, Busan (Korea) Aug. 28 ~ Aug. 31 (Poster)
Computational study on molecular orientation in vapor-deposited organic light-emitting diodes
The 17th International Meeting on Information Display, Busan (Korea) Aug. 28 ~ Aug. 31 (Oral)
Molecular orientation and hole carrier transport in vapor-deposited OLED: multiscale simulation study
The 9th Conference of Asian Consortium of Computational Materials Science, Kuala-Lumpur (Malaysia) Aug. 8 ~ Aug. 11 (Poster)
Development of neural network interatomic potential and training data analysis
The 9th Conference of Asian Consortium of Computational Materials Science, Kuala-Lumpur (Malaysia) Aug. 8 ~ Aug. 11 (Poster)
awarded as excellent poster
[Certificate]
Theoretical study of homogeneous vertical MoS2 P-N junction and application as an efficient hydrogen evolution reaction catalyst
The 9th Conference of Asian Consortium of Computational Materials Science, Kuala-Lumpur (Malaysia) Aug. 8 ~ Aug. 11 (Poster)
First-principles study on charge trap in nitrogen-deficient amorphous Si3N4
The 9th Conference of Asian Consortium of Computational Materials Science, Kuala-Lumpur(Malaysia) Aug. 8 ~ Aug. 11 (Poster)
Automated ab initio calculations for efficient screening of functional oxides
Asia Pacific Society for Materials Science Research 2017 Annual Meeting, Hokkaido (Japan) Jul. 27 ~ Jul. 30 (Invited)
First-principles study on the origin of charge trap in amorphous Si3N4-x
The 15th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 12 ~ Jul. 14 (Poster)
Multi-scale simulation for molecular orientation and charge transport in vapor-deposited organic thin film
The 15th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 12 ~ Jul. 14 (Poster)
Computational screening of defective 2D metal dichalcogenides for hydrogen evolution reaction
The 15th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 12 ~ Jul. 14 (Poster)
High-throughput screening of new p-type transparent semiconducting oxide
59th Electronic Materials Conference, South Bend (USA) Jun. 28 ~ Jun. 30 (Oral)
A new descriptor for high-throughput screening of p-type oxide semiconductors
59th Electronic Materials Conference, South Bend (USA) Jun. 28 ~ Jun. 30 (Poster)
Theoretical investigation of MoS2 van der Waals p-n junction and application as a hydrogen evolution reaction catalyst
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
Ab-initio study on charge trap states in nitrogen-deficient amorphous Si3N4
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
Spin-singlet small bipolaron revealed in nonmagnetic d0 oxide
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
Molecular orientation and charge transport in vapor-deposited organic films
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
Development of potential energy surface for SiO2 system via Artificial Neural Network
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
awarded as excellent poster
[Certificate]
Automated ab initio calculations for screening non-oxide high-k materials
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
First-principles high-throughput screening of novel p-type transparent semiconducting oxide
The 13th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 15 ~ Jun. 16 (Poster)
Discovering functional oxides through automated ab initio calculations
2017 eSSENCE-SeRC Meeting Multiscale Modelling of Materials and Molecules, Uppsala (Sweden) Jun. 12 ~ Jun. 14 (Keynote)
A novel descriptor for high-throughput screening of p-type semiconducting oxides
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Oral)
Ab initio high-throughput screening for novel p-type oxide semiconductors
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Oral)
Ab-initio study on the origin of charge trap in amorphous Si3N4-x
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Poster)
Automated ab-initio calculations for non-oxide high-k materials
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Oral)
Artificial neural network based interatomic potential development for bulk SiO2
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Oral)
Screening of 2D transition metal dichalcogenides with anion vacancies for hydrogen evolution reaction
2017 Spring Conference of the Korean Institute of Metals and Materials, Changwon(Korea) Apr. 26 ~ Apr 28 (Oral)
awarded as an excellent presentation
[Certificate]
Theoretical investigation of homogeneous van der Waals TMD p-n junction
The 2017 Spring Meeting of the Korean Physical Society, Daejeon(Korea) Apr. 19 ~ Apr. 21 (Oral)
awarded as an excellent presentation
[Certificate]
Developing interatomic potential for Si-O system via neural network machine learning method
The 2017 Spring Meeting of the Korean Physical Society, Daejeon(Korea) Apr. 19 ~ Apr. 21 (Oral)
A computational study of molecular orientation and charge transport in vapor-deposited organic films
The 2017 Spring Meeting of the Korean Physical Society, Daejeon(Korea) Apr. 19 ~ Apr. 21 (Oral)
First-principles study on charge trap states in amorphous Si3N4-x
2017 MRS spring meeting, Phoenix(US) Apr. 17 ~ Apr 21 (Poster)
Computational screening of two-dimensional metal dichalcogenides with anion vacancies for hydrogen evolution reaction
2017 MRS spring meeting, Phoenix(US) Apr. 17 ~ Apr 21 (Oral)
Automated first-principles calculations for building dopant property database of doped-ZnO
2017 MRS spring meeting, Phoenix(US) Apr. 17 ~ Apr. 21 (Oral)
Ab-initio calculation on trap states in amorphous Si3N4-x
The 24th Korean Conference on Semiconductors, Daemyung resort (Korea) Feb. 13 - Feb. 15 (Poster)
awarded as excellent poster
[Certificate]
Interatomic potential development for Si system via neural network method
The 24th Korean Conference on Semiconductors, Daemyung resort (Korea) Feb. 13 - Feb. 15 (Poster)
2016
Small bipolaron induced by substitutional hydrogen in TiO2 polymorphs
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
Computational screening of transition metal dichalcogenides with anion vacancies for hydrogen evolution reaction catalyst
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
First-principles calculation on charge trap states in amorphous silicon nitride
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
Non-oxide high-k materials screened by high-throughput ab initio calculation
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
Automatization of doping property calculation for doped-ZnO
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
awarded as best poster award
[Certificate]
Developing MD interatomic potential for Si thermal oxidation simulation with machine learning neural network
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
First principles study of hydrogen evolution reaction on sulfur vacancy of MoS2
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
Simulating Li Diffusion in amorphous Al2O3 using neural network potential
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Poster)
Effect of vapor-deposition condition on molecular orientation and charge carrier transport in organic layers: computational study
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 6 - Nov. 9 (Oral)
How to train neural network potential?- case study on Si and Al2O3
The 4th International Conference on Molecular Simulation, Shanghai (China) Oct.23 ~ Oct. 26 (Poster)
Automated ab initio calculations for efficient material screening
The 4th International Conference on Molecular Simulation, Shanghai (China) Oct.23 ~ Oct. 26 (Invited)
Mechanism study of hydrogen evolution reaction on sulfur vacancy of MoS2
The 8th International Conference on Recent Progress in Graphene/2D Research, Seoul (Korea) Sep. 25 ~ Sep. 29 (Poster)
Screening of catalyst for hydrogen evolution reaction on anion vacancy sites in two-diemensional metal dicahalcogenides from first-principles calculations
The 8th International Conference on Recent Progress in Graphene/2D Research, Seoul (Korea) Sep. 25 ~ Sep. 29 (Poster)
Two dimensional dichalcogenides for hydrogen production
2016 E-MRS Fall Meeting, Warsaw (Poland) Sep. 19 ~ Sep. 22 (Invited)
Ab-initio study on charge trap state in amorphous Si3N4
The 9th Pacific Rim International Conference on Advanced Materials and Processing, Kyoto (Japan) Aug. 1 ~ Aug. 5 (Poster)
Investigation of preferred orientation in vapor-deposited organic semiconductors
The 9th Pacific Rim International Conference on Advanced Materials and Processing, Kyoto (Japan) Aug. 1 ~ Aug. 5 (Poster)
Molecular dynamics simulation for orientation preference in vapor-deposited organic thin films
The 14th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 13 ~ Jul. 15 (Poster)
Single doping database of doped-ZnO using high-throughput ab initio calculation
The 14th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 13 ~ Jul. 15 (Oral)
Finding magnetic ordering in antiferromagnetic oxides using genetic algorithm
The 14th International Nanotech Symposium & Nano-Convergence Expo in Korea, Goyang (Korea) Jul. 13 ~ Jul. 15 (Poster)
awarded as best poster award
[Certificate]
Mechanism of hydrogen evolution reaction on vacancy defects in MoS2
IUMRS-ICEM 2016, Singapore (Singapore) Jul. 04 ~ Jul. 08 (Oral)
Vapor-deposition simulation to investigate the molecular orientation in the amorphous organic films
IUMRS-ICEM 2016, Singapore (Singapore) Jul. 04 ~ Jul. 08 (Poster)
Computational screening of anion vacancy sites in two-dimensional metal dichalcogenides for catalytic effects in hydrogen evolution reaction
IUMRS-ICEM 2016, Singapore (Singapore) Jul. 04 ~ Jul. 08 (Poster)
Property database for doped zinc oxide computed by automatized first-principles calculations
IUMRS-ICEM 2016, Singapore (Singapore) Jul. 04 ~ Jul. 08 (Oral)
Searching for functional oxides through high-throughput computation
IUMRS-ICEM 2016, Singapore (Singapore) Jul. 04 ~ Jul. 08 (Invited)
Control of molecular oriencation in vapor-deposited organinc layers and its effect on charge carrier mobility: computational study
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Automatization of doping property calculation for doped-ZnO
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
High-throughput ab initio calculation for screening non-oxide high-k materials
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Simulating Li diffusion in amorphous Al2O3 using neural network potential
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Screening of anion vacancy sites in two-dimensional metal dichalcogenides for hydrogen evolution reaction catalyst
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Small bipolaron induced by substitutional hydrogen in rutile TiO2
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Theoretical study of hydrogen evolution reation on sulfur vacancy of MoS2
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
awarded as excellent poster award
[Certificate]
First principles study on charge trap states in amorphous Si3N4-x
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Neural network MD interatomic potential development for Si oxidation process simulation
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Poster)
Two diemnsional dichalcogenides for hydrogen production
The 12th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 16 ~ Jun. 17 (Invited)
계산과학을 통한 재료혁신은 가능한가?
2016 Spring Conference of the Korean Institute of Metals and Materials, Gyeongju (Korea) Apr. 27 ~ Apr. 29 (Invited)
Searching new materials through high-throughput calculations: high-k dielectrics and doped-ZnO
The 2016 Spring Conference of the Korean Institute of Metals and Materials, Gyeongju (Korea) Apr. 27 ~ Apr. 29 (Oral)
First-principles study on light induced O-O bond in ZnO and persistent photoconductivity
제 12차 유전체 연합 심포지엄, Muju (Korea) Jan. 31 ~ Feb. 2 (Oral)
First-principles high-throughput screening of new high-k dielectrics
제 12차 유전체 연합 심포지엄, Muju (Korea) Jan. 31 ~ Feb. 2 (Oral)
First-principles high-throughput screening for doped-ZnO
Electronic Materials and Applications 2016, Orlando (US) Jan. 20 ~ Jan. 22 (Oral)
2015
Impact of bistable hydrogen impurity on photo-bias instabilities in amorphous semiconducting oxides
2015 MRS fall meeting, Boston (US) Nov. 29 ~ Dec. 4 (Poster)
Origin of hydrogen evolution reaction on transition metal dicalcogenide materials
2015 MRS fall meeting, Boston (US) Nov. 29 ~ Dec. 4 (Poster)
Investigation of preferred orientation in vapor-deposited oraganic semiconductors
The 9th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec. 7 ~ Dec. 9 (Invited)
Automation strategy for high-throughput ab initiocalculation
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Invited)
Molecular orientation in vapor-deposited oraganic light-emitting diodes
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
Existence of small bipolaron near substitutional hydrogen in TiO2
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
First principles study on nature of oxygen vacancy in semiconducting oxides
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
Influence of wavefunction updates in self-consistent GW calculations on Titanites
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
Numerical simulations of junctions of water splitting photocathode and 2D catalyst
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
Finding magnetic ordering in antiferromagnetic oxides using genetic algorithm
The 18th Asian Workshop on First-Principles Electronic Structure Calculation. Tokyo (Japan) Nov. 9 ~Nov. 11 (Poster)
First principles calculation study on electrical properties of oxide semiconductors
2015 Fall Meeting of the Korean Ceramic Society, Incheon (Korea) Nov.4 ~ Nov. 6 (Invited)
Automation of first-principles calculations: why and how
The 10th Anniversary General Meeting of ACCMS-VO, Tohoku (Japan) Nov. 1 ~ Nov. 3 (Invited)
Band alignments of model junctions for water splitting
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
Molecular orientation in vapor-deposited oraganic thin film by molecular dynamics simulation
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
A theoretical study on the amorphous interface between InGaZnO4 and SiO2
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
Catlystic hydrogen evolution reaction on sulfur vafancy of transition metal dicalcogenide materials
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
Influence of self-consistent wavefunction updates in GW calculations on Titanites
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
High-throughput screening of doped-ZnO using first-principles calculation
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Poster)
Molecular dynamics simulation on preffered orientation in vapor-deposited oraganic semiconductors
Electronic Materials and Nanotechnology for Green Environment 2015, Daejeon (Korea) Oct. 30 (Invited)
Identification of small bipolaron induced by substitutional hydrogen in TiO2
Korea Physical Society biannual 2015 fall meeting. Gyeongju (Korea) Oct. 21 ~ Oct. 23 (Poster)
High-throughput first-principles study on doped-ZnO
Korea Physical Society biannual 2015 fall meeting. Gyeongju (Korea) Oct. 21 ~ Oct. 23 (Poster)
Development of a method to find the most stable spin configuration using first principle calculation
Korea Physical Society biannual 2015 fall meeting. Gyeongju (Korea) Oct. 21 ~ Oct. 23 (Poster)
Ab Initio investigation of source of instability in amorphous semiconducting oxides
The 15th International Meeting on Information Display, Daegu (Korea) Aug. 18 ~ Aug. 21 (Invited)
New novel high-k candidates from ab initio high-throughput screening
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
High-throughput calculations of doping properties in ZnO
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
Development of a method to find the most stable spin configuration
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
awarded as excellent poster award
[Certificate]
Theoretical study for ion current modulation by the gate embedded nanopore
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
A comparative study of van der Waals density functional with various exchange functionals on organic semiconductor crystals
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
A theoretical investigation on the amorphous interface between InGaZnO4 and SiO2
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
Origin of hydrogen evolution on transition metal dicalcogenide materials
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
Vacuum level alignment between organic semiconductors from quasiparticle calculation
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
Influence of wavefunction updates in GW calculations on Titanites
The 11th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 18 ~ Jun. 19 (Poster)
Automatizing Ab initio Calculations for High-throughput Screening
ACCMS-8, Taipei, Taiwan Jun. 16-18 (Invited)
Extensive Study on Doped-ZnO Using High-throughput Ab initio Calculation Approach
The 2015 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 22-24 (Poster)
Influence of Wavefunction Updates in Self-consistent GW Calculations on TiO
The 2015 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 22-24 (Poster)
Property Database and High-throughput Screening of Functional Materials
The 2015 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 22-24 (Invited)
Oxygen vacancy in semiconducting oxides
The 2015 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 22-24 (Invited)
Strategy for High-throughput Ab-initio Screening of Functional Ceramic Materials
2015 Spring Meeting of the Korean Ceramic Society, Pyungchang (Korea) Apr.15 ~ Apr. 17 (Invited)
Impact of H-VZn defect complex on long lifetime of photocurrent in ZnO
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Oral)
High-throughput screening for novel high-k dielectrics through first-principles calculation
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Oral)
Simulation of nanopore transistors: ion current modulation by the embedded gate electrode
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Oral)
High-thorughput calculation for doped-ZnO
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Poster)
awarded as best poster award
[Certificate]
Development of a method to find spin ordering in magnetic materials
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Poster)
Influence of self-consistent wavefunction updates in quasiparticle band gap of titanates
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Poster)
Modeling of leakage current in MIM structures using kinetic monte carlo
The 9th International Conference on Computational Physics, Singapore (Singapore) Jan. 7 ~ Jan. 11 (Poster)
2014
Strategy for high-throughput ab initio screening of functional ceramic materials
The 31th International Korea-Japan Seminar on Ceramics, Changwon (Korea) Nov. 26 ~ Nov. 29 (Invited)
Searching for functional oxides using high-throughput ab initio screening
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Oral)
Automatic first-principles calculation scheme for oxygen vacancies in various oxide materials
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
Screening new high-k materials by high-throughput first-principles calculation
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
Simulation for distordered morphologies in organic semiconductors
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
An efficeint modeling scheme to generate amorphous structures
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
First-principles study on electronic sutructures of amorphous InGaZnO-SiO2 interfaces
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
Quasiparticle electronic structures of TiO2 and SrTiO3
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Poster)
Energetics and kinetics of bulk reconstruction of O-O bond in ZnO
International Conference on Electric Materials and Nanotechnology for Green Environment, Jeju (Korea) Nov. 16 - Nov. 19 (Oral)
Influence of wavefunction updates in quasiparticle band structure in titanates
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
Charge compensation mechnism on LaMnO3(001) surface
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
Ab-initio calculation on electronic structures of amorphous InGaZnO-SiO2 interfaces
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
Microscopic origin of the persistent photoconductivity in ZnO : oxygen vacancy vs. znic vacancy
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
Oxygen vacancy calculations of various oxide materials by high-throughput approach
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
High-throughput screening for new high-k dielectric materials using first-principles calculation
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
Development of an efficient scheme to generate amorphous structures
The 17th Asian Workshop on First-Principles Electronic Structure Calculations, Seoul (Korea) Nov. 2 - Nov. 5 (Poster)
First principles study on oxygen bond reconstruction in bulk ZnO
8th International Workshop on Zinc Oxide and Related Materials, Ontario (Canada) Sep. 8 - Sep. 11 (Oral)
First-principles calculation on electronic and atomic structures of amorphous InGaZnO-Si02 interfaces
8th International Workshop on Zinc Oxide and Related Materials, Ontario (Canada) Sep. 8 - Sep. 11 (Poster)
Electronic, transport, and optical properties of amorphous semiconducting oxides
The 8th International Conference on the Science and Technology for Advanced Ceramics, Yokohama (Japan) Jun. 25 ~ Jun. 27 (Invited)
First-principles study of amorphous InGaZnO-SiO2 interfaces
The 8th International Conference on the Science and Technology for Advanced Ceramics, Yokohama (Japan) Jun. 25 ~ Jun. 27 (Poster)
Intrinsic absorption edge of crystalline and amorphous semiconducting oxides
The 8th International Conference on the Science and Technology for Advanced Ceramics, Yokohama (Japan) Jun. 25 ~ Jun. 27 (Oral)
Searching for super high-k dielectrics using high-throughput ab initio calculation
The 8th International Conference on the Science and Technology for Advanced Ceramics, Yokohama (Japan) Jun. 25 ~ Jun. 27 (Poster)
awarded as first prize poster award
[Certificate]
Rectification behavior in solid-state nanopores with embedded gate electrode
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
High-throughput first-principles calculation for searching new high-k materials
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
Ab-initio study on electronic structures of amorphous InGaZnO-SiO2 interfaces
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
Charge compensation mechanism on LaMnO3(001) surface
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
Reconstruction of O-O bond in bulk ZnO
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
GW calculations on TiO2 polymorphs and SrTiO3
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
High-throughput calculation scheme for oxygen vacancies in various oxide materials
The 10th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 19 ~ Jun. 20 (Poster)
Material map on band gap versus dielectric constant: data mining for ideal high-k dielectrics
2014 MRS spring meeting, San Francisco (US) Apr. 21 ~ Apr. 25 (Oral)
Development of an efficient scheme for generating amorphous structures
2014 MRS spring meeting, San Francisco (US) Apr. 21 ~ Apr. 25 (Poster)
Thermodynamics of intrinsic point defects in hematite: an ab-initio study
2014 MRS spring meeting, San Francisco (US) Apr. 21 ~ Apr. 25 (Poster)
First principles study on microscopic origin of visible light absorption in amorphous transparent conducting oxides
2014 MRS spring meeting, San Francisco (US) Apr. 21 ~ Apr. 25 (Poster)
Competing local orders in liquid and amorphous structures of Ge2Sb2Te5: influence of exchange-correlation functional
2014 Spring Meeting of the Korean Ceramic Society, Goyang (Korea) Apr. 16 ~ Apr. 18 (Poster)
Development of an efficient method for amorphous structures modeling
2014 Spring Meeting of the Korean Ceramic Society, Goyang (Korea) Apr. 16 ~ Apr. 18 (Oral)
2013
Ab initio approach to understand and improve phase change memory
The 8th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec. 11 ~ Dec. 13 (Invited)
Competition of local orders in disordered phase of Ge2Sb2Te5 and GeSe2: octahedral versus tetrahedral Ge
The 8th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec. 11 ~ Dec. 13 (Poster)
An efficient scheme for generating amorphous structures
The 8th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec. 11 ~ Dec. 13 (Poster)
Data Mining for Next-generation High-k Dielectrics; Automation of Band Gap and Permittvity Calculation
The 2013 Fall Meeting of the Korean Physical Society, Changwon (Korea) Oct. 30 ~ Nov. 1 (Poster)
awarded as an excellent presentation
[Certificate]
비정질 산화물 반도체의 전기적 및 광학적 성질에 관한 제일원리 계산 연구
Electronic Materials and Nanotechnology for Green Environment 2013, Gwangju (Korea) Oct. 25 (Poster)
Automation of ab initio Calculations Toward Massive Database of Material Properties
The 2013 Fall Conference of the Korean Institute of Metals and Materials, Gwangju (Korea) Oct. 24 ~ Oct. 25 (Invited)
Electronic Structures and Transport Properties of Amorphous Semiconducting Oxides
The 2013 Fall Meeting of the Korean Ceramic Society, Jeju (Korea) Oct. 16 ~ Oct. 18 (Invited)
Automated search for dielectrics with large band gap and dielectric constant
The 7th Conference of the Asian Consortium on Computational Materials Science, Nakhon Ratchasima (Thailand) July. 23 ~ July. 28 (Poster)
Ab-initio calculations on InGaZnO/SiO2 interfaces
The 7th Conference of the Asian Consortium on Computational Materials Science, Nakhon Ratchasima (Thailand) July. 23 ~ July. 28 (Poster)
GW calculations on quasiparticle band structures of post-transition-metal oxides
The 7th Conference of the Asian Consortium on Computational Materials Science, Nakhon Ratchasima (Thailand) July. 23 ~ July. 28 (Poster)
GW calculations on transition and post-transition metal oxides
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Invited)
The electronic structure calculation for post-transition-metal oxides in GW approximation
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
Theoretical study of H2 evolution on N-doped monolayer graphene
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
GW calculations for correlated transition metal oxides
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
Thermodynamics of intrinsic point defects in hematite
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
awarded as an excellent presentation
[Certificate]
Electronic and atomic structures of InGaZnO-SiO2 interfaces
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
Data mining for next generation high-k dielectrics; materials map of band gap versus permittivity
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
An efficient method to generate amorphous structures
The 9th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 20 ~ Jun. 21 (Poster)
Materials map for band gap versus dielectric constants; searching for dream dielectrics
The 10th Pacific Rim Conference on Ceramic and Glass Technology, San Diego (US) Jun. 2-7 (Invited)
Universal band structures and electron scattering mechanism in transparent semiconducting oxides
8th International Symposium on Transparent Oxide and Related Materials for Electronics and Optics, Tokyo (Japan) May. 13-15 (Poster)
awarded as an excellent presentation
[Certificate]
New method to generate amorphous structure
2013 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25-26 (Poster)
Materials map for band gap versus permittivity using automated high-throughput calculation
2013 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25-26 (Poster)
제일원리 계산을 이용한 a-IGZO/a-SiO2 계면의 전자구조 연구
2013 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25-26 (Poster)
Thermodynamics study on point defects in hematite (α-Fe2O3) using first-principles calculations
2013 Spring Conference of the Korean Institute of Metals and Materials, Jeju (Korea) Apr. 25-26 (Poster)
awarded as an excellent presentation
[Certificate]
Self-consistent quasi-particle GW calculation for the post-transition-metal oxides
The 2013 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 24-26 (Poster)
GW methods within VASP: test on oxides
The 2013 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 24-26 (Invited)
Self-consistent GW calculation for correlated transition metal oxides
The 2013 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 24-26 (Poster)
Competition of local orders in disordered phase of Ge2Sb2Te5: octahedral versus tetrahedral Ge
2013 MRS Spring Meeting & Exhibit, San Francisco (US) Apr. 1-5 (Poster)
First-principles study on native defects in α-Fe2O3; Implication to efficiency of water splitting
2013 MRS Spring Meeting & Exhibit, San Francisco (US) Apr. 1-5 (Poster)
Quasi-linear band structure and electronic transport in transparent conducting oxides
16th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste (Italy) Jan. 10-12 (Poster)
Infulence of exchane-correlation functional on local order competition in disordered phase of Ge2Sb2Te5: octahedral versus tetrahedral Ge
16th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste (Italy) Jan. 10-12 (Poster)
2012
Native point defects in α-Fe2O3
15th Asian Workshop on First-principles Electronic Structure Calculations, Taipei (Taiwan) Nov. 5-7 (Poster)
Liquid and amorphous structure of Ge2Sb2Te5: octahedral versus tetrahedral Ge
15th Asian Workshop on First-principles Electronic Structure Calculations, Taipei (Taiwan) Nov. 5-7 (Poster)
Band structures and scattering mechanism of amorphous semiconducting oxides
KRISS Computational Metrology Workshop, Daejeon (Korea) Nov. 2 (Invited)
Band structures and scattering mechanism of semiconducting oxides
International Union of Materials Research Societies - International Conference on Electronic Materials 2012, Yokohama (Japan) Sept. 23 ~ Sept. 28 (Invited)
Scattering mechanism in single-crystalline semiconducting oxides
International Union of Materials Research Societies - International Conference on Electronic Materials 2012, Yokohama (Japan) Sept. 23 ~ Sept. 28 (Oral)
Local order competition depending on exchange-correlation functional in disordered phases of Ge2Sb2Te5
International Union of Materials Research Societies - International Conference on Electronic Materials 2012, Yokohama (Japan) Sept. 23 ~ Sept. 28 (Oral)
DFT+U calculations on the point defects in α-Fe2O3
International Union of Materials Research Societies - International Conference on Electronic Materials 2012, Yokohama (Japan) Sept. 23 ~ Sept. 28 (Poster)
First-principles study on the influence of strain on the nature of oxygen vacancy in SnO2
International Union of Materials Research Societies - International Conference on Electronic Materials 2012, Yokohama (Japan) Sept. 23 ~ Sept. 28 (Oral)
Hybrid functional studies on titanates with various valence configurations
International Union of Materials Research Societies - International Conference in Asia 2012, Busan (Korea) Aug. 26 ~ Aug. 31 (Oral)
Ab initio approach to understand and improve phase-change memory
International Union of Materials Research Societies - International Conference in Asia 2012, Busan (Korea) Aug. 26 ~ Aug. 31 (Invited)
Dielectric response and capacitance of nanosized capacitors
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Oral)
Theoretical study on the electron mobility in c-IGZO
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Automation of ab initio calculation for materials map; application to band gap and permittivity
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
First-principles study on the oxygen vacancy in In2O3 and SnO2
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Hybrid functional study on the ground state properties of titanates
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Influence of exchange-correlation functionals on atomic structure of disordered system of Ge2Sb2Te5
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
awarded as an excellent presentation
[Certificate]
First-principles study on intrinsic point defects in hematite (α-Fe2O3)
The 8th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
The strain effect on the nature of oxygen vacancy in SnO2: First-principles study
The 2012 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong (Korea) Apr. 26 ~ Apr. 27 (Poster)
Theoretical study on scattering mechanism in InGaO3(ZnO)n
The 2012 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 25 ~ Apr. 27 (Poster)
Local structure of amorphous GeSe studied by ab-initio molecular dynamics
The 2012 Spring Conference of the Korean Institute of Metals and Materials, Hoengseong (Korea) Apr. 26 ~ Apr. 27 (Poster)
Effect of exchange-correlation functional on liquid and amorphous structures of Ge2Sb2Te5
The 2012 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 25 ~ Apr. 27 (Poster)
Computation of capacitance at nanometer scale using first-principles methods
The 2012 Spring Meeting of the Korean Physical Society, Daejeon (Korea) Apr. 25 ~ Apr. 27 (Invited)
First-principles study on the intrinsic point defects in hematite(α-Fe2O3)
The 2012 Spring Meeting of the Korean Ceramic Society, Daegu (Korea) Apr. 19 ~ Apr. 20 (Poster)
Theoretical approach on electron mobility in c-InGaO3(ZnO)n
The 2012 Spring Meeting of the Korean Ceramic Society, Daegu (Korea) Apr. 19 ~ Apr. 20 (Poster)
Universal band structures and scattering mechanism of transparent conduction oxides
The 2012 Spring Meeting of the Korean Ceramic Society, Daegu (Korea) Apr. 19 ~ Apr. 20 (Invited)
Influence of exchange-correlation functionals on liquid and amorphous structures of Ge2Sb2Te5
The 2012 MRS Spring Meeting & Exhibit, San Francisco (US) Apr. 9 ~ Apr. 13 (Oral)
Role of oxygen p orbitals in electronic structures and transport properties of transparent conduction oxides
The 2012 MRS Spring Meeting & Exhibit, San Francisco (US) Apr. 9 ~ Apr. 13 (Poster)
2011
Cross-over behavior in the nature of oxygen vacancy in In2O3
2011 MRS Fall Meeting, Boston (US) Nov. 27 ~ Dec. 2 (Oral)
Universal features in band structures of crystalline and amorphous transparent conducting oxides
2011 MRS Fall Meeting, Boston (US) Nov. 27 ~ Dec. 2 (Poster)
Ab-initio molecular dynamics study on amorphous GeSe
2011 International Symposium on Chalcogenide Materials and Devices, Seoul (Korea) Nov. 10 (Poster)
The Universal features in band structures of crystalline and amorphous transparent conducting oxide
The 14th Asian Workshop on First-Principles Electronic Structure Calculations, Tokyo (Japan) Oct. 31- Nov. 2 (Invited)
The roles of Ge in amorphous Sb4Te
2011 Korean Physical Society, Fall Meeting, Busan (Korea) Oct. 19-21 (Poster)
awarded as an excellent presentation
Cross-over behavior in the nature of oxygen vacancy in In2O3
2011 Korean Physical Society, Fall Meeting, Busan (Korea) Oct. 19-21 (Oral)
Ab initio investigations of amorphous stability of doped Ge2Sb2Te5
ACCMS-6, Singapore Sep. 6-9 (Poster)
Hybrid functional study on liquid and amorphous structures of Ge2Sb2Te5
EPCOS 2011, Zurich (Switzerland) Sep. 5-6 (PosterInvited)
Atomic-scale modeling of phase change phenomena in Ge2Sb2Te5
2011 Nano Korea, KINTEX, Gyeonggi-do (Korea) Aug. 24-26 (Invited)
Local structure and electronic properties of Sb-rich Sb-Te alloys
2011 Nano Korea, KINTEX, Gyeonggi-do (Korea) Aug. 24-26 (Poster)
First-principles study of liquid Ge2Sb2Te5 using hybrid functional
2011 Nano Korea, KINTEX, Gyeonggi-do (Korea) Aug. 24-26 (Poster)
Effect of dopants on the amorphous stability of Ge2Sb2Te5
2011 Nano Korea, KINTEX, Gyeonggi-do (Korea) Aug. 24-26 (Poster)
CNT 물성 및 이론
한국탄소학회 2011년 춘계학술대회, 특별포럼: CNT/Graphene Based Carbon Science & Technology May 19 (Invited)
Orbital partition approach for the self-consistent calculation of a charged nanocapacitor from first principles
2011 Materials Research Society spring meeting, San Francisco, CA (USA) Apr 25-29 (Oral)
Ab initio study on influence of dopants on crystalline and amorphous Ge2Sb2Te5
2011 Materials Research Society spring meeting, San Francisco, CA (USA) Apr 25-29 (Oral)
Atomic and electronic structures of doped Ge2Sb2Te5 and GeTe for phase change memory
2011 Sping Conference of Korean Institute of Metals and Materials, Daegu (Korea) Apr. 21-22 (Oral)
Local structure and electronic properties of Sb-Te alloy materials
2011 Korean Physical Society, Spring Meeting, Daejeon (Korea) Apr. 13-15 (Oral)
First-principles study of amorphous GeSe
2011 Korean Physical Society, Spring Meeting, Daejeon (Korea) Apr. 13-15 (Poster)
Ab initio approach to calculate capacitance of nanocapacitors
The 3rd ACCMS Working Group Meeting on advances in Nano-device Simulation, Jeju (Korea) Mar. 31-Apr. 2 (Invited)
2010
First-principles Study on Oxygen Vacancy in SrTiO3 using Hybrid Functional
The 27th International Korea-Japan Seminar on Ceramics, Songdo Convensia, Incheon (Korea) Nov. 23 ~ Nov. 26 (Poster)
First-principles Study on the Role of Oxygen Vacancy in In2O3
The 27th International Korea-Japan Seminar on Ceramics, Songdo Convensia, Incheon (Korea) Nov. 23 ~ Nov. 26 (Oral)
Orbital Partition Approach for the Application of Bias Voltage in Total Energy Density Functional Calculations
The 13th Asian Workshop on First-Principles Electronic Structure Calculations, POSTECH Pohang (Korea) Nov. 1 ~ Nov. 3 (Poster)
Various functional studies on the oxygen vacancy in transparent conducting oxides
The 13th Asian Workshop on First-Principles Electronic Structure Calculations, POSTECH Pohang (Korea) Nov. 1 ~ Nov. 3 (Poster)
Ab initio study on the effect of dopants on the crystalline and amorphous structures of Ge2Sb2Te5
The 13th Asian Workshop on First-Principles Electronic Structure Calculations, POSTECH Pohang (Korea) Nov. 1 ~ Nov. 3 (Poster)
Local structure and electronic properties of ideal glass and melt-quenched Sb2Te3 and GeTe
The 13th Asian Workshop on First-Principles Electronic Structure Calculations, POSTECH Pohang (Korea) Nov. 1 ~ Nov. 3 (Poster)
First-principles study using hybrid functional: from basic properties of materials to complicated system
The 13th Asian Workshop on First-Principles Electronic Structure Calculations, POSTECH Pohang (Korea) Nov. 1 ~ Nov. 3 (Poster)
Hybrid functional studies on the oxygen vacancy in transparent conducting oxides
3rd International Symposium on Transparent Conductive Materials, TCM2010, Crete (Greece) Oct. 17 ~ Oct. 21 (Poster)
Computational Study on Defects in Conducting Oxides
The Korean Ceramic Society, ICCJEJU, Jeju-do (Korea) Oct. 21 ~ Oct. 23 (Invited)
Atomic and electronic structures of doped Ge2Sb2Te5 for phase change memory
International Conference on Electronic Materials 2010 presented by International Union of Materials Research Societies, KINTEX, Gyeonggi-do (Korea) Aug. 22 ~ Aug. 27 (Oral)
Comparison hybrid functional with conventional DFT: from basic properties of materials to complicated system
International Conference on Electronic Materials 2010 presented by International Union of Materials Research Societies, KINTEX, Gyeonggi-do (Korea) Aug. 22 ~ Aug. 27 (Oral)
awarded as the best paper
Nature of oxygen vacancy in transparent conducting oxides
International Conference on Electronic Materials 2010 presented by International Union of Materials Research Societies, KINTEX, Gyeonggi-do (Korea) Aug. 22 ~ Aug. 27 (Invited)
Hydrogen incorporation in epitaxial graphene on 6H-SiC(0001)
30th International Conference on the Physics of Semiconductors 2010, Seoul (Korea) Jul. 25 ~ Jul. 30 (Oral)
Hybrid functional study on d1 titanates: Ti2O3 and LaTiO3
The 2nd APCTP-IACS Joint Conference 'International Conference on Physics of Novel Oxide Materials', APCTP Headquaters, Pohang (Korea) Jul. 15 ~ Jul. 17 (Invited)
Hybrid functional study on the oxygen vacancy in metal oxides
The 7th Asian Meeting on Ferroelectricity and the 7th Asian Meeting on ElectroCeremics, Jeju (Korea) Jun. 28 ~ Jul. 1 (Invited)
The effect of dopants on the amorphous structure of Ge2Sb2Te5
The 5th KIAS Electronic Structure Calculation Workshop, Seoul (Korea) Jun. 21 ~ Jun. 22 (Poster)
Hybrid functional study on the oxygen vacancy in metal oxides
2010 The Korean Ceramic Society spring meeting, Changwon exhibition convention center, Changwon, Gyongsangnam-do (Korea) Apr. 22 ~ Apr. 23 (Invited)
Effect of pressure on the amorphous structures of Ge2Sb2Te5 and its implications to the mechanism of resistance drift
2010 Materials Research Society spring meeting, San Fancisco CA (USA) Apr. 5 ~ Apr. 9 (Oral)
The effect of dopants on the amorphous structure of Ge2Sb2Te5
2010 Materials Research Society spring meeting, San Fancisco CA (USA) Apr. 5 ~ Apr. 9 (Poster)
2009
Spatial distribution of charge carrier and effect of internal strain in intrinsic n-type SrTiO3-LaAlO3
The 6th International Conference on Advanced Materials and Devices, Jeju, Korea Dec. 9 ~ Dec. 11 (Poster)
The electronic and structural properties of the amorphous Ge2Sb2Te5
The 6th International Conference on Advanced Materials and Devices, Jeju, Korea Dec. 9 ~ Dec. 11 (Poster)
Spatial distribution of charge carrier and effect of internal strain in intrinsic n-type SrTiO3-LaAlO3
The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Beijing Oct. 26 ~ Oct. 29 (Poster)
Molecular dynamics study on amorphous Ge2Sb2Te5; melt-quenched versus ideal glasses
The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Beijing Oct. 26 ~ Oct. 29 (Poster)
Ab initio studies on the interaction of DMMP and Sarin with small molecules for chemical warfare detection
The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Beijing Oct. 26 ~ Oct. 29 (Poster)
First-principles study on preferential atomic sites for hydrogen injected into the epitaxial grephene on 6H-SiC(0001)
The 12th Asian Workshop on First-Principles Electronic Structure Calculations, Beijing Oct. 26 ~ Oct. 29 (Poster)
Atomic and electronic structures of amorphous GST
EuropeanPhase Change and Ovonics Symposium 2009, Aachen (Germany) Sep. 6 ~ Sep. 8 (Invited)
First-principles study of graphene exfoliation from SiC substrate using hydrogen
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Poster)
First-principles study on the electronic properties of charged graphene nanoribbon
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Poster)
First-principles molecular dynamics study on the confinement effect for atomic and electronic structure in amorphous Ge2Sb2Te5
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Poster)
Molecular dynamics study on the structure of amorphous Ge2Sb2Te5
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Oral)
awarded as an excellent presentation
Conducting states at the interface of TTF and TCNQ organic crystals
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Oral)
Mechanism of Carrier Generation in LaAlO3-SrTiO3 Interface
2009 Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 23 ~ Apr. 24 (Invited)
Spatial Distribution and Density of Charge Carrier in Intrinsic n-type SrTiO3-LaAlO3 Interface
2009 Materials Research Society, Spring Meeting, San Francisco, CA (USA) Apr. 13 ~ Apr. 17 (Poster)
First-principles study on the electromigration of oxygen vacancy in metal oxides
2009 American Physical Society, March meeting, Pittsburgh (USA) Mar. 16 ~ Mar. 20 (Oral)
Electronic structures of intrinsic n-type SrTiO3-LaAlO3 interface: density and spatial distribution of free carriers
2009 American Physical Society, March meeting, Pittsburgh (USA) Mar. 16 ~ Mar. 20 (Oral)
Exfoliation of graphene flake from SiC substrate using hydrogen injection: a first-principles study
2009 American Physical Society, March meeting, Pittsburgh (USA) Mar. 16 ~ Mar. 20 (Oral)
The structural and electronic properties of the amorphous Ge2Sb2Te5
2009 American Physical Society, March meeting, Pittsburgh (USA) Mar. 16 ~ Mar. 20 (Oral)
First-principles study on the conduction mechanism of n-type SrTiO3-LaAlO3
제 5차 강유전체 연합심포지움, 무주 Feb. 8 ~ Feb. 10 (Invited)
2008
Molecular dynamics simulation to study amorphous structure of Ge2Sb2Te5
Mini Symposium on Recent Progress in Molecular Simulations Research in Korea, Seoul Dec. 19 (Invited)
Molecular dynamics study on the structure of amorphous Ge2Sb2Te5
Computational Science Workshop 2008, Tsukuba, Japan Dec. 8 ~ Dec. 10 (Poster)
Electromigration of oxygen vacancy in metal oxide
Computational Science Workshop 2008, Tsukuba, Japan Dec. 8 ~ Dec. 10 (Poster)
Level quantization of free carriers at n-type SrTiO3-LaAlO3
The 11th Asian Workshop on First principles electronic structure calculations, Kaohsiung, Taiwan Nov. 3 ~ Nov. 5 (Poster)
Multiscale simulation of electromigration of oxygen vacancy in metal oxide
The 11th Asian Workshop on First principles electronic structure calculations, Kaohsiung, Taiwan Nov. 3 ~ Nov. 5 (Poster)
Dielectric responce at metal-oxide interfaces
The 11th Asian Workshop on First principles electronic structure calculations, Kaohsiung, Taiwan Nov. 3 ~ Nov. 5 (Poster)
Molecular dynamics study on the structure of amorphous GST225
The Korean institute of Metals and Materials, Song-Do Korea Oct. 23 ~ Oct. 24 (Invited)
Influence of oxygen vacancy on band offsets at metal-oxide interfaces
The 11th Asian Workshop on First principles electronic structure calculations, Kaohsiung, Taiwan Nov. 3 ~ Nov. 5 (Invited)
Band alignments at non-reactive metal-oxide interfaces
The 11th Asian Workshop on First principles electronic structure calculations, Kaohsiung, Taiwan Nov. 3 ~ Nov. 5 (Poster)
Segregation of oxygen vacancy at metal-HfO2 interfaces
The 4th KIAS electronic structure calculation workshop, Seoul Jun. 26 ~ Jun. 27 (Poster)
awarded as an excellent presentation
Oxygen vacancy at metal HfO2 interfaces; an ab-initio study
The 5th International Symposium on Advanced Gate Stack, Austin, USA Sep. 28 ~ Sep. 30 (Oral)
First-principles study on doping and phase stability of HfO2
The 4th KIAS electronic structure calculation workshop, Seoul Jun. 26 ~ Jun. 27 (Poster)
Electromigration of oxygen vacancy in metal-oxides: First-principles study
Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 17 ~ Apr. 18 (Oral)
First-principles Calculation of Capacitance Including Interfacial Effects
Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 17 ~ Apr. 18 (Oral)
First-principles study of oxygen vacancy segregations at metal-HfO2 interfaces
Korean Physical Society, Spring Meeting, Dae-Jeon Apr. 17 ~ Apr. 18 (Oral)
Microscopic Mechanism of Phase Control of HfO2 Through Doping
2008 Materials Research Society spring meeting, San Fancisco, CA (USA) Mar. 24 ~ Mar. 28 (Poster)
First-principles Study on Oxygen Vacancy at HfO2-metal Interfaces
2008 Materials Research Society spring meeting, San Fancisco, CA (USA) Mar. 24 ~ Mar. 28 (Poster)
Local dielectric constant in metal-oxide and oxide-oxide interfaces: an ab-initio approach to address interfacial effects
2008 American Physical Society march meeting, New Orleans (USA) Mar. 10 ~ Mar. 14 (Oral)
Microscopic Mechanism of Phase Control of HfO2 through Doping
The 15th Korean Conference on Semiconductors, Pyungchang Feb. 20 ~ Feb. 22 (Oral)
First-principles study on local dielectric constants in metal-oxide and oxide-oxide interfaces
The 15th Korean Conference on Semiconductors, Pyungchang Feb. 20 ~ Feb. 22 (Poster)
2007
First-principles study of resistance-switching phenomenon in oxide material
The 14th Interantional Workshop on Oxide Electronics, Jeju Oct.7 ~ Oct.10 (Poster)
Dielectric response at the metal-oxide interface: a first-principles investigation
The 14th Interantional Workshop on Oxide Electronics, Jeju Oct.7 ~ Oct.10 (Poster)
First-principles study on electronic structures and magnetic properties of ultrathin SrRuO3
The 14th Interantional Workshop on Oxide Electronics, Jeju Oct.7 ~ Oct.10 (Poster)
Control of phase stability in HfO2 through doping
The 14th Interantional Workshop on Oxide Electronics, Jeju Oct.7 ~ Oct.10 (Poster)
Fermi level pinning and dielectric response at the metal oxide interface
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Oral)
Electronic structures and phase stability of tantalum mononitride: an ab initio study
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
First-principles study of resistive switching phenomenon in SrTiO3 and NiO
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
Schottky barrier height and charge transfer at meta/oxide interfaces: an ab initio study
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
First-principles study of phase stability of HfO2 with doping
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
Dielectric responses of ultrathin oxide film and metal/oxide interface
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
Secondary electron emission and sputtering characteristics of MgO surfaces
The 4th Conference on the Asian Consortium on Computational Materials Science, Seoul Sep.12 ~ Sep.16 (Poster)
Defects and Impurities in Transition Metal Oxides
The 9th High Performance Computing International Conference and Exhibition, HPC asia 2007, Seoul Sep.9 ~ Sep.12 (Oral)
First-Principles Modeling of Resistance Switching Mechanism in Oxide Material
International Conference on Materials for Advanced Technology, Singapore Jul.1 ~ Jul.6 (Poster)
Finite Field Method to Calculate Dielectric Response of Metal-Oxide Interface
International Conference on Materials for Advanced Technology, Singapore Jul.1 ~ Jul.6 (Oral)
Secondary Electron Emission and Sputtering Characteristics of MgO Surfaces
International Conference on Materials for Advanced Technology, Singapore Jul.1 ~ Jul.6 (Oral)
Microscopic mechanism of resistance-switching-memory device based on metal oxides
Asia-Pacific Workshop on Fundamentals and Applications of Advanced Semiconductor Devices, Gyeongju (Korea) Jun.25 Jun.27 (Invited)
Oxygen vacancy in SrTiO3 : First principles study
The 3rd KIAS Eelctronic Structure Calculation Workshop, Seoul Jun. 19 (Poster)
Phase stability and electronic structures of tantalum mononitride
The 3rd KIAS Eelctronic Structure Calculation Workshop, Seoul Jun. 19 (Poster)
Paring of cation vacancies and gap state creation in TiO2 and HfO2
The 3rd KIAS Eelctronic Structure Calculation Workshop, Seoul Jun. 19 (Poster)
Local relaxation and charge states of oxygen vacacny in SrTiO3
The 3rd KIAS Eelctronic Structure Calculation Workshop, Seoul Jun. 19 (Poster)
2006
Interaction and ordering between point defects in NiO
Korean Physical Society, Fall Meeting, Daegu Oct.19 ~ Oct.20 (Oral)
Ab initio study of ultrathin NiO films on Ag(001)
Korean Physical Society, Spring Meeting, Pyungchang Apr.20 ~ Apr. 21 (Poster)
Application of first-principles methods to nonvolatile memory technology
The 9th Asian Workshop on First-Principle Electronic Structure Calculations , Seoul Oct.9 ~ Oct.11 (Invited)
First-principles modeling of resistance switching
The Korean Institute of metals and materials, Fall Meeting, Che-ju Oct.26 ~ Oct.27 (Invited)
First-principles and molecular dynamics methods for studying materials properties
The 3rd Workshop on the Nuclear Material Thermophysical Property, Haenam Sep.14 ~ Sep.15 (Invited)
First principe modeling of Resistance switching in peroveskite oxide material
International Symposium on Integrated Ferroelectrics 2006, Honolulu, Hawaii, USA Apr.24 ~Apr.27 (Poster)
Dielectric constant of ultrathin oxide material
Conference on computational physcis, Kyungju Aug.29 ~ Sep.1 (Poster)
Dielectric response at the metal-oxide interface
83th Korea Physical Society, Fall Meeting, Dae-Gu Oct.19 ~ Oct.20 (Oral)
Dielectric constant of ultrathin oxide material
82th Korea Physical Society, Spring Meeting, Pyungchang Apr.20 ~ Apr. 21 (Poster)
Electronic structure and defect interaction in Cr-doped SrTiO3 and Nb-doped SrTiO3
Korean Physical Society, Spring Meeting, Pyung-Chang Apr.20 ~ Apr. 21 (Poster)
First principe modeling of Resistance switching in peroveskite oxide material
Korean Physical Society, Fall Meeting, Dae-Gu Oct.19 ~ Oct.20 (Oral)
Secondary Electron Emission and Sputtering Characteristics of MgO Surfaces
Korean Institute of Metals and Materials, Che-ju Oct.26 ~ Oct.27 (Oral)
Electronic structures of MgO surfaces and nanocrystals
Korean Physical Society, Spring Meeting, Pyung-Chang Apr.20 ~ Apr. 21 (Poster)
awarded as an excellent presentation
Electronic structures of MgO surfaces and nanocrystals
Korean Physical Society, Fall Meeting, Dae-Gu Oct.19 ~ Oct.20 (Oral)
Secondary Electron Emission and Sputtering Characteristics of MgO Surfaces
Korean Physical Society, Fall Meeting, Dae-Gu Oct.19 ~ Oct.20 (Oral)
Secondary Electron Emission and Sputtering Characteristics of MgO Surfaces
The 9th Asian Workshop on First-Principle Electronic Structure Calculations , Seoul Oct.9 ~ Oct.11 (Poster)
Effects of metal coating on the field emission properties of carbon nanotubes
Materials Research Society, Spring Meeting, San Francisco, CA, USA Apr.17 ~ Apr. 21 (Poster)
Oxygen-vacancy mediated resistance switching of perovskite oxide material; first-principles study
Materials Research Society, Spring Meeting, San Francisco, CA, USA Apr.17 ~ Apr. 21 (Oral)
Electronic structure of point defects in NiO: possible mechanism of NiO resistive switching
15th Symposium on Dielectric Properties of Materials, Muju Feb.12 ~ Feb.14 (Poster)
awarded as an excellent presentation
First-principles modeling of resistance switching in perovskite oxide material
15th Symposium on Dielectric Properties of Materials, Muju Feb.12 ~ Feb.14 (Invited)
2005
Electronic structure of micro structural defects in NiO
The 4th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec.5 ~ Dec.7 (Poster)
Vacancyinduced electronic structure of Ni1-xO1-y
The 4th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec.5 ~ Dec.7 (Poster)
Interface-driven resistance switching of perovskite oxide materials: first-principles study
The 4th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec.5 ~ Dec.7 (Poster)
Vacancy-induced electronic structure of Ni1-xO1-y
The 4th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec.5 ~ Dec.7 (Poster)
Electronic structure of microstructural defects in NiO
The 4th International Conference on Advanced Materials and Devices, Jeju (Korea) Dec.5 ~ Dec.7 (Oral)
Side-wall interaction of carbon nanotubes
The 2nd Korea-Japan Symposium on Carbon Nanotubes, Matsushima, Miyagi, Japan Nov.27 ~ Nov.30 (Invited)
Side-wall functionalization of carbon nanotubes with dichlorocarbene
The 8th Asian Workshop on First-principles Electronic Structure Calculations, Fudan University, Shanghai, China Oct.31 ~ Nov.2 (Poster)
First-principles study on oxygen divacancies and cluster in SrTiO3 : LDA+U method
The 8th Asian Workshop on First-principles Electronic Structure Calculations, Fudan University, Shanghai, China Oct.31 ~ Nov.2 (Poster)
Structural and electronic properties of LaTiO3 and SrTiO3 studied with LDA+U formalism
The 8th Asian Workshop on First-principles Electronic Structure Calculations, Fudan University, Shanghai, China Oct.31 ~ Nov.2 (Poster)
Interface-driven resistance switching of perovskite oxide materials; first-principles study
The 8th Asian Workshop on First-principles Electronic Structure Calculations, Fudan University, Shanghai, China Oct.31 ~ Nov.2 (Poster)
Vacancy-induced electronic structure of Ni1-xO1-y
The 8th Asian Workshop on First-principles Electronic Structure Calculations, Fudan University, Shanghai, China Oct.31 ~ Nov.2 (Poster)
Interface-driven resistance switching of perovskite oxide materials; first-principles study
Korean Physical Society, Fall Meeting, Chonbuk University, Seoul Oct.20 ~ Oct.22 (Poster)
awarded as an excellent presentation
Electronic structure of point defects in NiO: possible mechanism of NiO resistive swtiching
Korean Physical Society, Fall Meeting, Chonbuk University, Seoul Oct.20 ~ Oct.22 (Poster)
First-principles study of Li-ion deintercalation from surfaces of LiCoO2
Korean Physical Society, Fall Meeting, Chonbuk University, Seoul,awarded as an excellent presentation Oct.20 ~ Oct.22 (Poster)
First-principles study on oxygen divacancies and cluster in SrTiO3
Korean Physical Society, Fall Meeting, Chonbuk University, Seoul Oct.20 ~ Oct.22 (Oral)
Structural and electronic properties of LaTiO3 studied with LDA+U formalism
Korean Physical Society, Fall Meeting, Chonbuk University, Seoul Oct.20 ~ Oct.22 (Oral)
Sidewall functionalization of carbon nanotubes with dichlorocarbene
Korean Physical Society, Spring Meeting, Ewha Womans University, Seoul (Korea) Apr. 22 ~ Apr. 23 (Poster)
awarded as an excellent presentation