Hauptseminar Moderne Simulationsmethoden WS 2009/Fortgeschrittene Molekulardynamik I
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<setdata> date=t.b.a. topic=Fortgeschrittene Molekulardynamik I: Wie man die freie Energie berechnet speaker= tutor=Shervin Rafatnia </setdata>
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Literatur
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Daan Frenkel, Berend Smit.
Understanding Molecular Simulation: From Algorithms to Applications.
Part of Computational Science, volume 1. Edition 2.
Academic Press, San Diego, 2002. ISBN: 978-0-12-267351-1.
[DOI]
- Chapter 7
Gliederungsvorschlag
- 1 Problemstellung
- 2 Umbrella Sampling
- 3 Bias Potentials
- 4 Metadynamik