Difference between revisions of "Simulation Methods in Physics II SS 2013"
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=== Useful online resources ===  === Useful online resources ===  
+  
+  * Introduction to electronic structure methods, Roethlisberger, Tavernarelli, EPFL, Lausanne, 2011: [lcbcpc21.epfl.ch/Group_members/ivano/bachelor.pdf].  
* Ebook: D.P. Landau and K. Binder: [http://www.netlibrary.com/urlapi.asp?action=summary&v=1&bookid=139749 A guide to Monte Carlo Simulations in Statistical Physics]  * Ebook: D.P. Landau and K. Binder: [http://www.netlibrary.com/urlapi.asp?action=summary&v=1&bookid=139749 A guide to Monte Carlo Simulations in Statistical Physics]  
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−   11.04.2012  Ab initio methods, Quantum mechanics,HartreeFock  +   11.04.2012  Ab initio methods, Quantum mechanics, HartreeFock  [Lecture Notes] 
    
−   18.04.2012  Classical force fields, Atomistic simulations, Biomolecules   +   18.04.2012  Electronic structure, Density functional theory (DFT), beyond DFT, postHartreeFock methods<!Classical force fields, Atomistic simulations, Biomolecules>  
[Lecture Notes]  [Lecture Notes]  
    
−   25.04.2012  Water models, Born model of solvation  [Lecture Notes]  +   25.04.2012  PostHartreeFock methods, semiempirical methods (tightbinding)<!Water models, Born model of solvation>  [Lecture Notes] 
    
−   02.05.2012  Coarsegrained models, simulations of macromolecules and soft matter  [Lecture Notes]  +   02.05.2012  Classical force fields, atomistic simulations, biomolecules, materials<!Coarsegrained models, simulations of macromolecules and soft matter>  [Lecture Notes] 
    
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−   16.05.2012  Long range interactions in periodic boundary conditions  [Lecture Notes]  +   16.05.2012  Water models, Solvation models<!Long range interactions in periodic boundary conditions>  [Lecture Notes] 
    
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−   06.06.2012  Long range interactions in periodic boundary conditions  [Lecture Notes]  +   06.06.2012  <!Long range interactions in periodic boundary conditions>  [Lecture Notes] 
    
−   13.06.2012  PoissonBoltzmann theory, charged polymers  +   13.06.2012  <!PoissonBoltzmann theory, charged polymers> 
 [Lecture Notes]   [Lecture Notes]  
    
−   20.06.2012  Hydrodynamic methods: LatticeBoltzmann, Brownian Dynamics, DPD, SRD  []  +   20.06.2012  <!Hydrodynamic methods: LatticeBoltzmann, Brownian Dynamics, DPD, SRD>  [] 
    
−   27.06.2012  Hydrodynamic methods II  [Lecture Notes]  +   27.06.2012  <!Hydrodynamic methods II>  [Lecture Notes] 
    
−   04.07.2012  Advanced MC/MD methods  [Lecture Notes]  +   04.07.2012  <!Advanced MC/MD methods>  [Lecture Notes] 
    
−   11.07.2012  Free energy methods I  [Lecture Notes]  +   11.07.2012  <!Free energy methods I>  [Lecture Notes] 
    
−   18.07.2012  Free energy methods II  [Lecture Notes]  +   18.07.2012  <!Free energy methods II>  [Lecture Notes] 
}  }  
Revision as of 10:38, 10 April 2013
Contents
Overview
 Type
 Lecture (2 SWS) and Tutorials "Simulationsmethoden in der Praxis" (2 SWS)
 Lecturer
 JP. Dr. Maria Fyta, (Lecture); Dr. Jens Smiatek(Tutorials)
 Course language
 English
 Lectures
 Time: Thursdays, 11:30  13:00, ICP, Allmandring 3, Seminarroom 1
 Tutorials
 Time: to be announced, ICP, Allmandring 3, CIPPool
The tutorials have their own title "Simulationsmethoden in der Praxis", as they can be attended independently of the lecture and are in fact part part of the Physics MSc module "Fortgeschrittene Simulationsmethoden" and not of the module that contains the lecture "Simulation Methods in Physics II".
The lecture is accompanied by handsontutorials which will take place in the CIPPool of the ICP, Pfaffenwaldring 27, U 104. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis. The tutorials build on each other, therefore continuous attendance is expected.
Scope
The course intends to give an overview about modern simulation methods used in physics today. The stress of the lecture will be to introduce different approaches to simulate a problem, hence we will not go too to deep into specific details but rather try to cover a broad range of methods. For an idea about the content look at the lecture schedule.
Prerequisites
We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, electrodynamics, and partial differential equations, as well as knowledge of a programming language. The knowledge of the previous course Simulation Methods I is expected.
Certificate Requirements
 1. Attendance of the exercise classes
 2. Obtaining 50% of the possible marks in the handin exercises
There will be a final grade for the Module "Simulation Methods" (this module consists of both lectures, Sim I plus Sim II) determined at the end of lecture Simulation Methods II.
The final grade will be determined in the following way: There will be an oral examination performed at (or after) the end of the course Simulation Methods II (SS 2012).
Recommended literature

Daan Frenkel and Berend Smit.
"Understanding Molecular Simulation".
Academic Press, San Diego, 2002.
[DOI] 
Mike P. Allen and Dominik J. Tildesley.
"Computer Simulation of Liquids".
Oxford Science Publications, Clarendon Press, Oxford, 1987.

D. C. Rapaport.
"The Art of Molecular Dynamics Simulation".
Cambridge University Press, 2004.

D. P. Landau and K. Binder.
"A guide to Monte Carlo Simulations in Statistical Physics".
Cambridge, 2005.

M. E. J. Newman and G. T. Barkema.
"Monte Carlo Methods in Statistical Physics".
Oxford University Press, 1999.
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Useful online resources
 Introduction to electronic structure methods, Roethlisberger, Tavernarelli, EPFL, Lausanne, 2011: [lcbcpc21.epfl.ch/Group_members/ivano/bachelor.pdf].
 Ebook: D.P. Landau and K. Binder: A guide to Monte Carlo Simulations in Statistical Physics
 Linux cheat sheet here (53 KB).
 A good and freely available book about using Linux: Introduction to Linux by M. Garrels
 Not so frequently asked questions about GNUPLOT (Often used by myself as a cheat sheet)
 Be careful when using Wikipedia as a resource. It may contain a lot of useful information, but also a lot of nonsense, because anyone can write it.
Lecture
To access lecture notes from outside the University or VPN, use the password which you obtained last semester. If you do not know it, ask the tutor or your friends in the course.
Date  Subject  Ressources 

11.04.2012  Ab initio methods, Quantum mechanics, HartreeFock  [Lecture Notes] 
18.04.2012  Electronic structure, Density functional theory (DFT), beyond DFT, postHartreeFock methods 
[Lecture Notes] 
25.04.2012  PostHartreeFock methods, semiempirical methods (tightbinding)  [Lecture Notes] 
02.05.2012  Classical force fields, atomistic simulations, biomolecules, materials  [Lecture Notes] 
09.05.2012  Holiday (Christi Himmelfahrt)  
16.05.2012  Water models, Solvation models  [Lecture Notes] 
23.05.2012  Holiday (Pfingsten)  
30.05.2012  Holiday (Fronleichnam)  
06.06.2012  [Lecture Notes]  
13.06.2012  [Lecture Notes]  
20.06.2012  []  
27.06.2012  [Lecture Notes]  
04.07.2012  [Lecture Notes]  
11.07.2012  [Lecture Notes]  
18.07.2012  [Lecture Notes] 
Tutorials
 Scheduling of tutorials
 New worksheets are handed out every two weeks (list will come). The following week is dedicated to working on problems related to the last worksheet. Homework in the form of a report should be sent to the tutors before the next worksheet is handed out. The twoweek cycle ends with the discussion of results of the previous worksheet and handing out a new one.
 Please send the report to the responsible person indicated with the given tutorial.
 In general, it should be the same person who handed out the tutorial.
Examination
Depending on the module that this lecture is part of, there are differences on how to get the credits for the module:
 BSc/MSc Physik, Modul "Simulationsmethoden in der Physik" (36010) and Erasmus Mundus International Master FUSIONEP

 Obtain 50% of the possible points in the handsin excercises of this lecture as well as for the first part of the lecture as a prerequisite for the examination (USLV)
 60 min of oral examination (PL)
 After the lecture (i.e. Summer 2013)
 Contents: both lectures and the excercises of "Simulation Methods in Physics I"
 International MSc Physics, Elective Module "Simulation Techniques in Physics II" (240918005)

 Obtain 50% of the possible points in the handsin excercises of this lecture as a prerequisite for the examination
 30 min of oral examination (PL) about the lecture and the excercises
 BSc/MSc SimTech, Modul "Simulationsmethoden in der Physik für SimTech II" (?????)

 Obtain 50% of the possible points in the handsin excercises of this lecture as a prerequisite for the examination (USLV)
 40 min of oral examination (PL) about the lecture and the excercises
 MSc Chemie, Modul "Simulationsmethoden in der Physik für Chemiker II" (?????)

 The marks for the module are the marks obtained in the excercises (BSL)