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CMSL
Computational Materials Science Laboratory
Hyun You Kim's Group

Facilities
01
Catalyst Synthesis and Analysis
Micro reactor-MS

Micro reactor-GC


in situ DRIFTS

02
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
03
The cutting edge


Lawrence Berkeley National Laboratory Advanced Light Source
Beamline 7.0.1
(Coherent scattering and microscopy)
Endstation 7.0.1.2
(COSMIC imaging)
operando X-ray absorption spectroscopy
Scanning transmission X-ray Microscopy
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