Tinker-HP: a Massively Parallel Molecular Dynamics Package for Multiscale Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields

Lagardère, Louis; Jolly, Luc-Henri; Lipparini, Filippo; Aviat, Félix; Stamm, Benjamin; Jing, Zhifeng F.; Harger, Matthew; Torabifard, Hedieh; Cisneros, Andrés G.; Schnieders, Michael J.; Gresh, Nohad; Maday, Yvon; Ren, Pengyu Y.; Ponder, Jay W.; Piquemal, Jean-Philip (Corresponding author)

Cambridge : Royal Society of Chemistry (2017, 2018)
Journal Article

In: Chemical Science
Volume: 9
Issue: 4
Page(s)/Article-Nr.: 956-972


  • Department of Mathematics [110000]
  • Mathematics, particularly Computational Mathematics Teaching and Research Area [115120]