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Reduced vs. full system-bath quantum dynamics: Vibrational excitation and relaxation of adsorbates at surfaces
Presenter
- Peter Saalfrank
January 13, 2009
IMA
Classical molecular dynamics simulations of the liquid water-gold interface
Presenter
- Stefano Corni
December 10, 2008
IMA
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
Presenter
- Jiali Gao
December 9, 2008
IMA
Probing the prion hydration by Molecular dynamics simulations: from native via misfolded to amyloid conformations
Presenter
- Alfonso De Simone
December 8, 2008
IMA
Ab initio path-integrals and specific applications of the Car-Parrinello approach to problems of aqueous ion solvation and transport
Presenter
- Mark Tuckerman
December 7, 2008
IMA
Understanding effective molecular dynamics on timescales beyond possible simulation timescales
Presenter
- Christof Schütte
November 4, 2008
IMA
