Difference between revisions of "Hauptseminar Theorie und Simulation der weichen Materie SS 2013/MD-MC"

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'''Grundlagen der Molekular-Dynamik und Monte-Carlo-Simulation für weiche Materie'''
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'''Introduction to Molecular Dynamics and Monte-Carlo Simulations of Soft Matter'''
  
Inhalt:
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== Contents ==
* Was ist weiche Materie?
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* What is soft matter?
* Molekulardynamik-Simulationen (MD)
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* Molecular Dynamics
* Monte-Carlo-Simulationen (MC)
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** Periodic Boundary Conditions
* Unterschiede zwischen MD und MC (Zeitmittel und Ensemblemittel, Integration der Bewegungsgleichungen,...)
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** Cell lists and Verlet lists
* Beispielsysteme
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* Monte-Carlo
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* Differences between MD and MC (time average vs. ensemble average)
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* Sample systems
  
=== Referenzen ===
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== References ==
<bibentry abstract="yes">gompper03a,metropolis53a,frenkel02b,allen87a</bibentry>
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 +
This one is an introduction to soft matter:
 +
<bibentry abstract="yes">gompper03a</bibentry>
 +
 
 +
The following book is the "bible" of Molecular Simulation:
 +
<bibentry>frenkel02b</bibentry>
 +
 
 +
This one is another very good book on simulations:
 +
<bibentry>allen87a</bibentry>
 +
 
 +
This one is the original paper of the Monte-Carlo method:
 +
<bibentry>metropolis53a</bibentry>

Latest revision as of 11:34, 25 March 2013

Introduction to Molecular Dynamics and Monte-Carlo Simulations of Soft Matter

Contents

  • What is soft matter?
  • Molecular Dynamics
    • Periodic Boundary Conditions
    • Cell lists and Verlet lists
  • Monte-Carlo
  • Differences between MD and MC (time average vs. ensemble average)
  • Sample systems

References

This one is an introduction to soft matter:


The following book is the "bible" of Molecular Simulation:


This one is another very good book on simulations:


This one is the original paper of the Monte-Carlo method: