


Computational Materials Science Laboratory
Hyun You Kim's Group
Catalyst synthesis and analysis
Micro reactor-MS

Micro reactor-GC


in situ DRIFT

Computation

Vienna ab-initio Simulation Package (VASP)
Density functional theory (DFT) calculations
DFT-MD (Molecular dynamics) simulations
https://www.vasp.at

Biovia Materials Studio with
KINETICX and CASTEP Modules
Visualization
Density functional theory calculations
kinetic Monte Carlo simulations
http://www.insilico.co.kr/index.php/solution/3ds/ms
LAMMPS: classical MD simulations

KISTI Nurion &
Brookhaven National Laboratory
Institutional Cluster

The cutting edge

