14/5 – Concurrent triple-scale simulation of molecular liquids

Speaker: Matej Praprotnik

Date: 14/05/08
Place: CAB H 57
Time: 11:15

A triple-scale simulation of a molecular liquid, in which the atomistic, coarse-grained and continuum descriptions of the liquid are concurrently coupled, will be presented. This approach successfully sorts out the problem of large molecules insertion in the hybrid particle-continuum simulations and thus opens up the possibility to perform efficient grand-canonical molecular dynamics simulations of truly open molecular liquid systems.