Introducing BSSE as an extra energy term in molecular dynamics

M. Van Houteghem, A. Ghysels, T. Verstraelen, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens

WP3/8

Poster

Conference / event / venue

IAP Annual Meeting

Leuven, Belgium

Monday, 21 November, 2011 to Tuesday, 22 November, 2011