Computational Materials Science Laboratory
Hyun You Kim's Group
Catalyst synthesis and analysis
Micro reactor-MS
Micro reactor-GC
in situ DRIFTS IR
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
