Mattias Sandberg: Approximation of quantum observables by molecular dynamics simulations

Time: Thu 2018-05-17 14.15 - 15.00

Lecturer: Mattias Sandberg, KTH

Location: Room F11, Lindstedtsvägen 22, våningsplan 2, F-huset, KTH Campus.


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.

Belongs to: Department of Mathematics
Last changed: May 16, 2018