Fortgeschrittene Molekulardynamik III

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<setdata> date=t.b.a. topic=Fortgeschrittene Molekulardynamik III: effiziente Simulation seltener Ereignisse speaker= tutor=Nadezhda Gribova </setdata>

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Required background
Statistical physics

Literatur

A review article:

C. Dellago and P.G. Bolhuis, "Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events", pp. 167-234 in the book: Advanced Computer Simulation Approaches for Soft Matter Sciences III; Series: Advances in Polymer Science , Vol. 221, Holm, Christian; Kremer, Kurt (Eds.), 2009; ISBN: 978-3-540-87705-9

Gliederungsvorschlag

1. Introduction
Rare events, nucleation.
2. Order parameters to distinguish phases
3. Simulation techniques for rare events
  • Transition path ensemble
  • Transition interface sampling
  • Forward flux sampling
4 Applications