• Group Hardware
    15 node Intel cluster (each node with 2 X CPU E5-2680 14C v4 2.40GHz; 126 GB RAM)
    2 node AMD cluster (each node with 4 X AMD Opteron(tm) 16C Processor 6278; 96 GB RAM)
    Hybrid CPU-GPU Workstation (Tesla40 in E5-2680)

  • Group Software
    Quantum Chemistry: Gaussian09, Molpro, Molcas, Turbomole, Columbus
    Molecular Dynamics: Charmm, NAMD, Gromacs, Amber
    Quantum/semiclassical Dynamics: MCTDH, SHARC

  • Group Library: