Optimal construction of a fast and accurate polarisable water potential based on multipole moments trained by machine learning

Chris M. Handley, Glenn I. Hawe, Douglas B. Kell, Paul L. A. Popelier
  • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry
  • DOI: 10.1039/b905748j
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The following have contributed to this page: Professor Douglas B Kell and Professor Paul Popelier