Fortgeschrittene Molekulardynamik III

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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