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

Robert D. Skeel, David J. Hardy, James C. Phillips

Research output: Contribution to journalArticlepeer-review

Original languageEnglish (US)
Pages (from-to)1-5
Number of pages5
JournalJournal of Computational Physics
Volume225
Issue number1
DOIs
StatePublished - Jul 1 2007

Keywords

  • Ewald sum
  • Force fields
  • Molecular dynamics

ASJC Scopus subject areas

  • Numerical Analysis
  • Modeling and Simulation
  • Physics and Astronomy (miscellaneous)
  • Physics and Astronomy(all)
  • Computer Science Applications
  • Computational Mathematics
  • Applied Mathematics

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