Difference between revisions of "Fortgeschrittene Molekulardynamik III"

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<setdata>
 
<setdata>
 
date=t.b.a.
 
date=t.b.a.
topic=Fortgeschrittene Molekulardynamik III: Wie man die freie Energie berechnet
+
topic=Fortgeschrittene Molekulardynamik III: effiziente Simulation seltener Ereignisse
 
speaker=
 
speaker=
tutor=[[Shervin Rafatnia]]
+
tutor=[[Nadezhda Gribova]]
 
</setdata>
 
</setdata>
 
{{Seminartopic}}
 
{{Seminartopic}}
  
 +
;Required background: Statistical physics
 
== Literatur ==
 
== Literatur ==
 +
A review article:
  
<ul>
+
C. Dellago and P.G. Bolhuis, [http://comp-phys.univie.ac.at/fileadmin/CP/Publikationen/2008/Adv_Poly_Sci_2008.pdf"Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events"], pp. 167-234 in the book:
<li>Frenkel, Smit 2002 Understanding molecular simulation (Chapter 7)
+
Advanced Computer Simulation Approaches for Soft Matter Sciences III;
[http://www.ica1.uni-stuttgart.de/~icp/bib/entries/frenkel02b.bib BibTeX]
+
Series: Advances in Polymer Science , Vol. 221,
</ul>
+
Holm, Christian; Kremer, Kurt (Eds.),
 +
2009; ISBN: 978-3-540-87705-9
  
 
== 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
 +
 +
;4 Applications

Latest revision as of 16:48, 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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Date
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Topic
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Speaker
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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