Acquisition of an Additional Mixed CPU/GPU Computational Node at the CUNY HPCC

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This is a supplemental proposal to obtain additional computational equipment to be stored in the City University of New York (CUNY) High Performance Computing Center (HPCC) in support of grant 1R15GM146228-01. The CUNY HPCC is located at the College of Staten Island, which is the location of the PI. The original proposal focuses on the development of methods to characterize the structure and dynamics of the nucleosome core particle, focusing on nucleic acid sequence, posttranslational modifications, and oncogenic mutations. The obtainment of additional computational equipment at the HPCC is critical to the success of this grant. As discussed in the proposal, the atomistic simulations and system sizes require access to computational nodes with multiple GPUs (graphics processing units). This grant will support multiple undergraduate students during the summer and the academic year. Exposure of undergraduate and graduate students (in Chemistry, Biochemistry, and Computer Science) to advanced computational equipment at the CUNY HPCC will promote the success of their research projects in computational molecular biophysics.