• Ұ/ҽ News&intro
  •  Faculty
  •  Events
  • к Undergraduate
  • п Graduate
  •  Career
  •  Admin
  •  Reservation
  •  Donation

  •    Professor
  • Physical Chemistry
  • Ph.D. 2009, Caltech

Contact information

Tel: (office) +82-42-350-2836, (lab) +82-42-350-2876
Location: (office) Room 506 (Bldg. E6-6), (lab) Room 2146 (Bldg. N5)
Fax: +82-42-350-2810


09/2005 - 06/2009 Caltech, Chemistry (Minor: Physics), PhD
03/2001 - 02/2004 KAIST, Chemistry, BS

Professional Experiences

07/2009 - 12/2012 KAIST, Senior Researcher
09/2006 - 08/2007 Jet Propulsion Laboratory, NASA, Graduate Research Associate


2016 S-Oil Best Thesis Supervisor Award, KAST
2016 POSCO TJ Science Fellow (Chemistry)
2016 Environmental Energy Chemistry Division Award for Young Researchers, KCS
2016 Faculty Award in Commemoration of the 45th Anniversary of Founding (Joint research), KAIST
2014-2017 EWon Assistant Professors, KAIST
2010 Herbert Newby McCoy Award (Best Thesis Award), Caltech Chemistry
2010 Springer Best Thesis Award, Springer Publishing Company


Brief Introduction

Our group aims to explore multiscale/multiphysics natures of complex material processes to unveil the underlying mechanisms, predict, and design the materials chemistry.
Particularly, we are interested in exotic chemo-physical processes at the interface of dissimilar materials and phases of matters; e.g., electrochemical processes at the solid-liquid interfaces. Toward this, we develop new multiscale simulation methods to theoretically incorporate high degrees of complexities of the interface into the quantum-classical simulation methods.

Research topics

- Scale-bridging method development for quantum-classical simulations
- Multiscale materials simulation
- Computational electrochemistry
- Solid-liquid interface
- Energy materials and heterogenous catalyst design

Representative publications

- A Seamless Grid-based Interface for Mean-field QM/MM Coupled with Efficient Solvation Free Energy Calculations, J. Chem. Theory Comput., 2016, 12(10), 5088
- Failure of Density Functional Dispersion Correction in Metallic Systems and Its Possible Solution Using a Modified Many-Body Dispersion Correction, J. Phys. Chem. Lett., 2016, 7(16), 3278
- Embedding covalency into metal catalysts for efficient electrochemical conversion of CO2, J. Am. Chem. Soc., 2014, 136(32), 11355
- Insight into the Microenvironments of the Metal–Ionic Liquid Interface during Electrochemical CO2 Reduction, ACS Catal., 2017, 8, 2420
- Inner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar Cells, J. Am. Chem. Soc., 2013, 135(7), 2431