Ankitkumar Patel1, Srivathsan Vasudevan1,*, Satya Bulusu2,*
CMC-Computers, Materials & Continua, Vol.80, No.3, pp. 3803-3818, 2024, DOI:10.32604/cmc.2024.052851
Abstract Molecular Dynamics (MD) simulation for computing Interatomic Potential (IAP) is a very important High-Performance Computing (HPC) application. MD simulation on particles of experimental relevance takes huge computation time, despite using an expensive high-end server. Heterogeneous computing, a combination of the Field Programmable Gate Array (FPGA) and a computer, is proposed as a solution to compute MD simulation efficiently. In such heterogeneous computation, communication between FPGA and Computer is necessary. One such MD simulation, explained in the paper, is the (Artificial Neural Network) ANN-based IAP computation of gold (Au147 & Au309) nanoparticles. MD simulation calculates the forces… More >
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