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
Postdoctoral Researchers
Research Area
Data-driven research for p-type oxides
Paper List
Large-scale computational identification of p-type oxide semiconductors using hydrogen descriptor (Submitted)1st authorComputational screening of indirect gap semiconductors for potential photovoltaic absorbers (Submitted)
New high mobility p-type tin oxyselenide semiconductor through valence band engineering (Submitted)
A molecular dynamics study on the interface morphology of vapor-deposited amorphous organic thin films, Physical Chemistry Chemical Physics (2019)
High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics, Scientific Reports (2018)
Computational discovery of p-type transparent oxide semiconductors using hydrogen descriptor, npj Computational Materials (2018)1st author
Effect of annealing temperature on the phase transition, band gap and thermoelectric properties of Cu2SnSe3, Journal of Materials Chemistry C (2018)
All-atom simulation of molecular orientation in vapor-deposited organic light-emitting diodes , Journal of Materials Chemistry C (2018)1st author
Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithm, Science and Technology of Advanced Materials (2017)
Impurity-driven formation of branched pores in porous anodic alumina, Scripta Materialia (2016)1st author
Investigation of field effects in a solid-state nanopore transistor, Physical Chemistry Chemical Physics (2015)1st author
Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations, NPG Asia Materials (2015)
An efficient method to generate amorphous structures based on local geometry, Computational Materials Science (2014)1st author
Enhanced amorphous stability of carbon-doped Ge2Sb2Te5: Ab initio investigation, Applied Physics Letters (2011)
Ph.D candidates
Research Area
Neural Network Atomic Potential
Paper List
Atomic energy mapping of neural network potential, (Submitted)1st authorSIMPLE-NN: an efficient package for training and executing neural-network interatomic potentials (Submitted)1st author
Towards reliable and transferable machine learning potentials: uniform training by overcoming sampling bias, Journal of Physical Chemistry C (2018)1st author
Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithm, Science and Technology of Advanced Materials (2017)1st author
Novel high-κ dielectrics for next-generation electronic devices screened by automated ab initio calculations, NPG Asia Materials (2015)
Research Area
First principles calculation on amorphous non-volatile memory materials
Paper List
First-principles calculations on effects of Al and Ga dopants on atomic and electronic structures of amorphous Ge2Sb2Te5, Journal of Applied Physics (2019)1st authorFirst-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, (Submitted)1st authorSIMPLE-NN: an efficient package for training and executing neural-network interatomic potentials (Submitted)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, (Submitted)1st authorSIMPLE-NN: an efficient package for training and executing neural-network interatomic potentials (Submitted)
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
Large-scale computational identification of p-type oxide semiconductors using hydrogen descriptor (Submitted)1st authorIndium-free amorphous Ca-Al-O thin film as transparent conducting oxide (Submitted)
New high mobility p-type tin oxyselenide semiconductor through valence band engineering (Submitted)
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
Two-dimensional NbS2 gas sensors for selective and reversible NO2 detection at room temperature (Submitted)1st authorCation insertion-free phase control of transition metal dichalcogenides via thermodynamic defects (Submitted)1st author
Unveiling electrochemical reaction pathways of CO2 reduction to CN species at S-vacancy of MoS2 (Submitted)1st author
Atomically thin heterojunction catalyst to reduce overpotential for photoelectrochemical hydrogen generation (Submitted)
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)
Graduated apprentice
Former Ph.D. students
Eunae Cho (조은애)
E-mail bellview79@gmail.com
Affiliation Samsung Advanced Institue of Technology
Graduate Year 2012.2
Kanghoon Yim (임강훈)
E-mail feihoon@snu.ac.kr
Affiliation Korea institute of energy research
Graduate Year 2017.2
Former M.S. student
Sohee Park (박소희)
Graduate Year 2012.2