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FPGA-Accelerated Molecular Dynamics Simulations: An Overview

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 4419))

Abstract

Molecular Dynamics (MD) simulation, supported by parallel software and special hardware, is widely used in materials, computational chemistry and biology science. With advances in FPGA capability and inclusion of embedded multipliers, lots of studies steer to focus on FPGA-accelerated MD simulations. In this paper we make an overview on the background of MD simulations and latest FPGA-based research programs. Characteristics, major approaches and problems are introduced, and possible solutions are also discussed. Finally, some future directions of research are given.

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Pedro C. Diniz Eduardo Marques Koen Bertels Marcio Merino Fernandes João M. P. Cardoso

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© 2007 Springer Berlin Heidelberg

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Yang, X., Mou, S., Dou, Y. (2007). FPGA-Accelerated Molecular Dynamics Simulations: An Overview. In: Diniz, P.C., Marques, E., Bertels, K., Fernandes, M.M., Cardoso, J.M.P. (eds) Reconfigurable Computing: Architectures, Tools and Applications. ARC 2007. Lecture Notes in Computer Science, vol 4419. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-71431-6_27

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  • DOI: https://doi.org/10.1007/978-3-540-71431-6_27

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-71430-9

  • Online ISBN: 978-3-540-71431-6

  • eBook Packages: Computer ScienceComputer Science (R0)

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