Simulation Methods in Physics II SS 2013

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Overview

Type
Lecture (2 SWS) and Tutorials (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, CIP-Pool

The lecture is accompanied by hands-on-tutorials which will take place in the CIP-Pool 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 hand-in 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


Useful online resources

  • Linux cheat sheet application_pdf.pnghere (53 KB)Info circle.png.
  • 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,Hartree-Fock, Density functional theory [Lecture Notes]
18.04.2012 Classical force fields, Atomistic simulations, Biomolecules

[Lecture Notes]

25.04.2012 Water models, Born model of solvation [Lecture Notes]
02.05.2012 Coarse-grained models, simulations of macromolecules and soft matter [Lecture Notes]
09.05.2012 Holiday (Christi Himmelfahrt)
16.05.2012 Long range interactions in periodic boundary conditions [Lecture Notes]
23.05.2012 Holiday (Pfingsten)
30.05.2012 Holiday (Fronleichnam)
06.06.2012 Long range interactions in periodic boundary conditions [Lecture Notes]
13.06.2012 Poisson-Boltzmann theory, charged polymers [Lecture Notes]
20.06.2012 Hydrodynamic methods: Lattice-Boltzmann, Brownian Dynamics, DPD, SRD []
27.06.2012 Hydrodynamic methods II [Lecture Notes]
04.07.2012 Advanced MC/MD methods [Lecture Notes]
11.07.2012 Free energy methods I [Lecture Notes]
18.07.2012 Free energy methods II [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 two-week 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.