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