Hardware
  • 3 PC Clusters 
    • 68 Nodes 
    • 1132 CPUs 
  • MEM: 3004.5GB RAM
  • Disk Array: 184TB
  


Software
  • Thermodynamics
    • Phaseequil (Developed by COMET)
  • Quantum Simulation
    • Gaussian, ADF, QChem, GAMESS
    • VASP, CPMD
  • Molecular Simulation
    • Lammps
    • Gromacs
  • Analysis software
    • VMD, Codessa
    • OpenBabel
  
 

 VMD - Visual Molecular Dynamics
 
 
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