Irvine,CA - Harvard University continues to select Beowulf Clusters to support their high performance computing needs. Dr. Robert Yelle, a research scientist and system administrator with Harvard’s Chemistry department, recently began work on a dual Athlon based cluster delivered by PSSC Labs. According to Dr. Yelle, the cluster is primarily used for molecular dynamics simulations and free energy calculations using the CHARMM (Chemistry at Harvard Molecular Mechanics) program. The CHARMM development project is maintained by Professor Martin Karplus, also of Harvard University. CHARMM is primarily used for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations. Dr. Yelle will also be running electronic structure calculations and geometry optimizations.

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