Professor
Short Bio
Seoul National University, Korea, B.S. Physics, Spring 1993
Seoul National University, Korea, M.S. Physics, Spring 1995
Seoul National University, Korea, Ph.D. Physics, Summer 2000
Postdoctor, Center for Strongly Correlated Materials Research, Seoul National University, 2000-2001
Postdoctor, Princeton Materials Institute, Princeton University, 2001-2003
Full-time lecturer, Dept. of Physics, Ewha Womans University, 2003-2004
Assistant Professor, Dept. of Physics, Ewha Womans University, 2004-2008
Associate Professor, Dept. of Physics, Ewha Womans University, 2008-2009
Associate Professor, Dept. of Materials Science and Engineering, Seoul National University, 2009-2013
Professor, Dept. of Materials Science and Engineering, Seoul National University, 2013-
Visiting Professor, Korea Institute for Advanced Study, 2015.9-2016.8
Ph.D candidates
Research Area
First principles calculation on amorphous non-volatile memory materials
Paper List
Atomic energy mapping of neural network potential, Physical Review Materials (2019)First-principles calculations on effects of Al and Ga dopants on atomic and electronic structures of amorphous Ge2Sb2Te5, Journal of Applied Physics (2019)1st author
First-principles study on the negative-U behavior of K centers in amorphous Si3N4-x, Physical Review Applied (2018)
Towards reliable and transferable machine learning potentials: uniform training by overcoming sampling bias, Journal of Physical Chemistry C (2018)
Property database for single-element doping in ZnO obtained by automated first-principles calculations, Scientific Reports (2017)
Research Area
Molecular dynamics simulation of molecular orientation in vapor-deposited organic films
Neural network model for representing high-dimensional potential energy surface
Paper List
Atomic energy mapping of neural network potential, Physical Review Materials (2019)1st authorSIMPLE-NN: an efficient package for training and executing neural-network interatomic potentials, Computer Physics Communications (2019)1st author
A molecular dynamics study on the interface morphology of vapor-deposited amorphous organic thin films, Physical Chemistry Chemical Physics (2019)1st author
Towards reliable and transferable machine learning potentials: uniform training by overcoming sampling bias, Journal of Physical Chemistry C (2018)
Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor, npj Computational Materials (2018)
All-atom simulation of molecular orientation in vapor-deposited organic light-emitting diodes , Journal of Materials Chemistry C (2018)1st author
Research Area
Neural Network Atomic Potential
Paper List
Atomic energy mapping of neural network potential, Physical Review Materials (2019)1st authorSIMPLE-NN: an efficient package for training and executing neural-network interatomic potentials, Computer Physics Communications (2019)
Towards reliable and transferable machine learning potentials: uniform training by overcoming sampling bias, Journal of Physical Chemistry C (2018)1st author
Structural effect on the oxygen evolution reaction in the electrochemical catalyst FePt, New Physics: Sae Mulli (2015)1st author
Research Area
High-throughput calculation of non-oxides
Paper List
AMP2: a fully automated program for ab initio calculation of crystalline properties (Submitted)Material design of new p-type tin oxyselenide semiconductor through valence band engineering and its device application, ACS Applied Materials and Interfaces (2019)
Indium-free amorphous Ca-Al-O thin film as transparent conducting oxide, Chemistry of Materials (2019)
Large-scale computational identification of p-type oxide semiconductors by hierarchical screening, Chemistry of Materials (2019)1st author
High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics, Scientific Reports (2018)1st author
Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor, npj Computational Materials (2018)
Property database for single-element doping in ZnO obtained by automated first-principles calculations, Scientific Reports (2017)
Research Area
First principles calculation on amorphous non-volatile memory materials
Research Area
2-dimensional materials for water splitting reaction and CO2 conversion reaction catalysts
Paper List
Cation insertion-free phase control of transition metal dichalcogenides via thermodynamic defects, (Submitted)1st authorBoosting the photocatalytic hydrogen evolution performance via an atomically thin 2D heterojunction visualized by scanning photoelectrochemical microscopy, Nano Energy (2019)
Influence of Bi doping on physical properties of lead halide perovskites: a comparative first-principles study between CsPbI3 and CsPbBr3, Materials Today Advances (2019)
Two-dimensional NbS2 gas sensors for selective and reversible NO2 detection at room temperature, ACS Sensors (2019)1st author
Unveiling electrochemical reaction pathways of CO2 reduction to CN species at S-vacancies of MoS2, ChemSusChem (2019)1st author
Role of hyper-reduced states in hydrogen evolution reaction at sulfur vacancy in MoS2, ACS Catalysis (2018)
Hydrogen evolution reaction at anion vacancy of two-dimensional transition metal dichalcogenides: ab initio computational screening, Journal of Physical Chemistry Letters (2018)1st author
Directly assembled 3D molybdenum disulfide on silicon wafer for efficient photoelectrochemical water reduction, Advanced Sustainable Systems (2018)
Former Ph.D. students
Eunae Cho (조은애)
E-mail bellview79@gmail.com
Affiliation Samsung Advanced Institue of Technology
Graduated in 2012/2
Kanghoon Yim (임강훈)
E-mail feihoon@snu.ac.kr
Affiliation Korea institute of energy research
Graduated in 2017/2
Kyuhyun Lee (이규현)
E-mail khlee1992@snu.ac.kr
Affiliation Samsung Advanced Institue of Technology
Graduated in 2019/8
Former M.S. student
Sohee Park (박소희)
Graduated in 2012.2