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.

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.

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Last changed: May 16, 2018