Facility

3 PC Clusters 

• 68 Nodes 

• 1132 CPUs 

MEM: 3004.5GB RAM

Disk Array: 184TB

Thermodynamics

• Phaseequil (Developed by COMET)

Quantum Simulation

• Gaussian, ADF, QChem, GAMESS

• VASP, CPMD

Molecular Simulation

• Lammps

• Gromacs

Analysis software

• VMD, Codessa

• OpenBabel