Instruments:

 Hardwares:

• PCs

• Linux workstations

• A 50-processor Beowulf cluster

• Access to national computing centers (NPACI, NCSA)

  Softwares:

• Our own dynamics code for full quantum, mixed quantum classical, and pure classical simulations

• Vienna Ab-initio Simulation Package (VASP)

• Gaussian

• DL_POLY

• AMBER

• Materials studio

• Other graphics and supporting softwares
   

                                                                                               

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