CMSL

Computational Materials Science Laboratory

Hyun You Kim's Group

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Facilities

01

Catalyst Synthesis and Analysis

Micro reactor-MS

Micro reactor-GC

in situ DRIFTS

02

Computation

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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

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KISTI Nurion &
Brookhaven National Laboratory
Institutional Cluster

03

The cutting edge

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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