Catalyst synthesis and analysis  

Micro reactor-MS

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Micro reactor-GC

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in situ DRIFTS IR

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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

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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

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The cutting edge

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Energy Environmental Science_210-280_350

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