Mattias Sandberg: Approximation of quantum observables by molecular dynamics simulations
Tid: To 2018-05-17 kl 14.15 - 15.00
Plats: Room F11, Lindstedtsvägen 22, våningsplan 2, F-huset, KTH Campus.
Medverkande: Mattias Sandberg, KTH
Abstract:
I will show error bounds when comparing quantum observables in the canonical ensemble approximated with molecular dynamics simulations. I will also discuss how the molecular dynamics simulations can be performed efficiently.