Difference between revisions of "Fortgeschrittene Molekulardynamik III"
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{{Seminartopic}} | {{Seminartopic}} | ||
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| + | ;Required background: Statistical physics | ||
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== Literatur == | == Literatur == | ||
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Holm, Christian; Kremer, Kurt (Eds.), | Holm, Christian; Kremer, Kurt (Eds.), | ||
2009; ISBN: 978-3-540-87705-9 | 2009; ISBN: 978-3-540-87705-9 | ||
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== Gliederungsvorschlag == | == 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 | ||
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| + | ;4 Applications | ||
Revision as of 15:48, 20 July 2009
<setdata> date=t.b.a. topic=Fortgeschrittene Molekulardynamik III: effiziente Simulation seltener Ereignisse speaker= tutor=Nadezhda Gribova </setdata>
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- Topic
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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