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
Ab initio construction of full phase diagram of MgO-CaO eutectic system using neural network interatomic potentials, Physical Review Materials (2022)1st authorAccelerated computation of lattice thermal conductivity using neural network interatomic potentials, Computational Materials Science (2022)1st author
Suppression of metal-to-insulator transition using strong interfacial coupling at cubic and orthorhombic perovskite oxide heterointerfaces, Nanoscale (2021)
Training machine-learning potentials for crystal structure prediction using disordered structures, Physical Review B (2020)
Crystallization of amorphous GeTe simulated by neural network potential addressing medium-range order, Computational Materials Science (2020)1st author
First-principles calculations on effects of Al and Ga dopants on atomic and electronic structures of amorphous Ge2Sb2Te5, Journal of Applied Physics (2019)
First-principles study on the negative-U behavior of K centers in amorphous Si3N4-x, Physical Review Applied (2018)

Paper List
Reconfigurable surface oxygen control method for enhancing the performance of semiconducting metal oxide gas sensors (Submitted)In-memory-computed low-frequency noise spectroscopy for selective gas detection using a reducible metal oxide, Advanced Science (2023)
Training machine-learning potentials for crystal structure prediction using disordered structures, Physical Review B (2020)
Computational identification of transition-metal dichalcogenides for electrochemical CO2 reduction to highly reduced species beyond CO and HCOOH, The Journal of Physical Chemistry C (2020)
Adatom doping of transition metals in ReSe2 nanosheets for enhanced electrocatalytic hydrogen evolution reaction, ACS Nano (2020)1st author

Paper List
Atomistic kinetic Monte Carlo simulation on atomic layer deposition of TiN thin film, Computational Materials Science (2022)Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials, npj Computational Materials (2021)1st author
Training machine-learning potentials for crystal structure prediction using disordered structures, Physical Review B (2020)
AMP2: a fully automated program for ab initio calculations of crystalline materials, Computer Physics Communications (2020)
Efficient atomic-resolution uncertainty estimation for neural network potentials using a replica ensemble, The Journal of Physical Chemistry Letters (2020)

Paper List
Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials, npj Computational Materials (2022)Training machine-learning potentials for crystal structure prediction using disordered structures, Physical Review B (2020)1st author
A band-gap database for semiconducting inorganic materials calculated with hybrid functional, Scientific Data (2020)
AMP2: a fully automated program for ab initio calculations of crystalline materials, Computer Physics Communications (2020)

Research Area
Paper List
Robust Co alloy design for Co interconnects using a self-forming barrier layer, Scientific Reports (2022)Electrochemical carbon dioxide reduction on copper–zinc alloys: ethanol and ethylene selectivity analysis, Journal of Materials Chemistry A (2022) 1st author
Phase engineering of transition metal dichalcogenides via a thermodynamically designed gas−solid reaction, Journal of Physical Chemistry Letters (2021) 1st author
Thermodynamically driven self-formation of Ag nanoparticles in Zn-embedded carbon nanofibers for efficient electrochemical CO2 reduction, RSC Advances (2021)
Quasi-graphitic carbon shell-induced Cu confinement promotes electrocatalytic CO2 reduction toward C2+ products, Nature Communications (2021)
Density functional theory study of edge-induced atomic-scale structural phase transitions of MoS2 nanocrystals: implications for a high-performance catalyst, ACS Applied Nano Materials (2021)
Thermodynamically driven self-formation of copper-embedded nitrogen-doped carbon nanofiber catalysts for a cascade electroreduction of carbon dioxide to ethylene, Journal of Materials Chemistry A (2020)












Former Ph.D. students
Eunae Cho (조은애)
Affiliation Samsung Electronics
Graduated in 2012/2
Sang Ho Jeon (전상호)
Affiliation Samsung Display
Graduated in 2012/8
Bora Lee (이보라)
Affiliation LG Chem
Graduated in 2012/8
Youngho Kang (강영호)
Affiliation Incheon National Univerisity
Graduated in 2015/8
Kye Yeop Kim (김계엽)
Affiliation Samsung Electronics
Graduated in 2017/2
Kanghoon Yim (임강훈)
Affiliation Korea Institute of Energy Research
Graduated in 2017/2
Joohee Lee (이주희)
Affiliation Samsung Display
Graduated in 2017/8
Yong Youn (윤용)
Affiliation Korea Institute of Energy Research
Graduated in 2018/8
Hochul Song (송호철)
Affiliation Samsung Display
Graduated in 2019/2
Gijae Kang (강기재)
Affiliation Samsung Electronics
Graduated in 2019/2
Kyuhyun Lee (이규현)
Affiliation Standigm
Graduated in 2019/8
Dongsun Yoo (유동선)
Affiliation Samsung Display
Graduated in 2020/2
Dongheon Lee (이동헌)
Affiliation IBS
Graduated in 2020/8
Miso Lee (이미소)
Affiliation Samsung Electronics
Graduated in 2020/8
Wonseok Jeong (정원석)
Affiliation Lawrence Livermore National Laboratory (USA)
Graduated in 2021/2
Sungwoo Kang (강성우)
Affiliation Samsung Advanced Institute of Technology
Graduated in 2022/2
Former M.S. student
Tae-Eun Kim (김태은)
Affiliation 천재교육
Sohee Park (박소희)
Graduated in 2012.2
Doyeon Kim (김도연)
Graduated in 2020.1
Former Post Doctors
Choongki Lee (이충기)
Affiliation AIMBLE
Hyo-Shin Ahn (안효신)
Affiliation Samsung Electronics
Won-joon Son (손원준)
Affiliation Samsung Electronics