Short Note: Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations

  • Authors:

  • Robert D. Skeel;David J. Hardy;James C. Phillips

  • Affiliations:

  • Department of Computer Science, Purdue University, 305 North University Street, West Lafayette, IN 47907-2107, USA;Beckman Institute, University of Illinois at Urbana-Champaign, 405 North Mathews Avenue, Urbana, IL 61801, USA;Beckman Institute, University of Illinois at Urbana-Champaign, 405 North Mathews Avenue, Urbana, IL 61801, USA

  • Venue:
  • Journal of Computational Physics
  • Year:
  • 2007

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Abstract