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 ==
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;1. Introduction: Rare events, nucleation.
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;2. Order parameters to distinguish phases:
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;3. Simulation techniques for rare events
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*Transition path ensemble
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*Transition interface sampling
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*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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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