Preliminary Report: FPGA Acceleration of Molecular Dynamics Computations

Abstract: Molecular Dynamics (MD) is of central importance to computational chemistry and its myriad applications. Here we show that, at even a preliminary stage of development, MD can be implemented efficiently on a COTS FPGA board, and that a 57x speed-up over a PC implementation can be obtained. We sketch our FPGA implementation and describe how performance tuning and precision management (currently in progress) could double this factor.

• Type: Conference
• Year: 2005
• Where: FCCM
• Authors: Yongfeng Gu, Tom Van Court, Douglas DiSabello, Martin C. Herbordt
• Keywords: Central Importance, COTS FPGA Board, FCCM 2005, Hardware, Molecular Dynamics