Accelerating molecular dynamic simulation on graphics processing units

  1. Mark S. Friedrichs1,
  2. Peter Eastman1,*,
  3. Vishal Vaidyanathan2,
  4. Mike Houston3,
  5. Scott Legrand4,
  6. Adam L. Beberg5,
  7. Daniel L. Ensign2,
  8. Christopher M. Bruns1,
  9. Vijay S. Pande2,5

Article first published online: 3 FEB 2009

DOI: 10.1002/jcc.21209

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 30, Issue 6, pages 864–872, 30 April 2009

Additional Information

How to Cite

Friedrichs, M. S., Eastman, P., Vaidyanathan, V., Houston, M., Legrand, S., Beberg, A. L., Ensign, D. L., Bruns, C. M. and Pande, V. S. (2009), Accelerating molecular dynamic simulation on graphics processing units. J. Comput. Chem., 30: 864–872. doi: 10.1002/jcc.21209

Author Information

  1. 1

    Department of Bioengineering, Stanford University, Stanford, California 94305

  2. 2

    Department of Chemistry, Stanford University, Stanford, California 94305

  3. 3

    Advanced Micro Devices, Sunnyvale, California

  4. 4

    NVIDIA Corporation, Santa Clara, California

  5. 5

    Department of Computer Science, Stanford University, Stanford, California 94305

*Department of Bioengineering, Stanford University, Stanford, California 94305

Publication History

  1. Issue published online: 11 MAR 2009
  2. Article first published online: 3 FEB 2009
  3. Manuscript Accepted: 13 DEC 2008
  4. Manuscript Revised: 12 DEC 2008
  5. Manuscript Received: 19 SEP 2008

Funded by

  • Simbios via the NIH Roadmap for Medical Research. Grant Numbers: U54 GM072970, NIH R01-GM062868, NSF EF-0623664

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