Logowanie do System sprawozdań KDM

Kierownik projektu:

Streszczenie projektu


Publikacje

  1. V. Vitale, J. Dziedzic, A. Albaugh, A.M.N. Niklasson, T. Head-Gordon, C-K. Skylaris, Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory, Journal of Chemical Physics -, (2017) -
  2. Valerio Vitale, Jacek Dziedzic, Alex Albaugh, Anders M. N. Niklasson, Teresa Head-Gordon, Chris-Kriton Skylaris, Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory, Journal of Chemical Physics 146, (2017) 124115-1 do 124115-17