Kyuho Lee



Department of Chemical and Biomolecular Engineering: Gilman Hall, Room 2c, UC Berkeley

Molecular Foundry: Building 67, 3231E, Lawrence Berkeley Lab


Phone: 510-468-4135

BS in Physics, Sogang University, Korea

MS in Physics, Sogang University, Korea

Ph.D. in Physics, Seoul National University, Korea

I am interested in understanding and predicting the interactions between gas molecules and metal-organic frameworks (MOFs) and the electronic structures of them by using density functional theory (DFT) calculations. Furthermore, in order to make a connection to macroscopic properties relevant to experimental measurements and applications, I am also interested in predicting thermodynamic properties at larger time scales and length scales using semi-classical molecular simulations and grand canonical Monte Carlo simulations. To this end I am developing ab-initio force-fields based on periodic DFT calculations of extended systems.

© Berend Smit 2013