Simulation Methods in Physics I WS 2012
Contents
Overview
 Type
 Lecture (2 SWS) and Tutorials (2 SWS)
 Lecturer
 Prof. Dr. Christian Holm (Lecture); Dr. Olaf Lenz and Dr. Jens Smiatek (Tutorials)
 Course language
 English
 Location and Time
 Lecture: Thu, 11:30  13:00; ICP, Allmandring 3, Seminarroom 1
 Tutorials: Thu, 14:00  15:30 and Fri, 8:00  9:30; ICP, Allmandring 3, CIPPool
 Prerequisites
 We expect the participants to have basic knowledge in classical and statistical mechanics, thermodynamics, and partial differential equations, as well as knowledge of a programming language (python or C).
The lecture is accompanied by handsontutorials which will take place in the CIPPool of the ICP, Allmandring 3. They consist of practical exercises at the computer, like small programming tasks, simulations, visualization and data analysis. The tutorials build upon each other, therefore continuous attendance is expected.
Lecture
Scope
The first part of 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. In more detail, the lecture will consist of:
 Molecular Dynamics
 The first problem that comes to mind when thinking about simulating physics is solving Newtons equations of motion for some particles with given interactions. From that perspective, we first introduce the most common numerical integrators. This approach quickly leads us to Molecular Dynamics (MD) simulations. Many of the complex problems of practical importance require us to take a closer look at statistical properties, ensembles and the macroscopic observables.
 The goal is to be able to set up and run real MD simulations for different ensembles and understand and interpret the output.
 Error Analysis
 Autocorrelation, Jackknifing, Bootstrapping
 Monte Carlo Simulations
 Since their invention, the importance of Monte Carlo (MC) sampling has grown constantly. Nowadays it is applied to a wide class of problems in modern computational physics. We want to present the general idea and theory behind MC simulations and show some more properties using simple toy models like the Isingmodel.
 Short interlude on Quantum Mechanical Systems
 It is obvious that solving quantum mechanical systems analytically is not possible and we need numerical help. We also want to examine the possibilities to simulate the quantum chromodynamics PDEs on a lattice (lattice gauge theory).
Course Material
 The script from the lecture "Physik auf dem Computer" (german) (3.24 MB) is good to prepare for the lecture.
 During the term, we will publish the script here.
Tutorials
Location and Time
 Thursday, 14:00  15:00, Olaf Lenz
 Friday, 8:00  9:30, Jens Smiatek
General Remarks
 The tutorials take place in the CIPPool on the first floor of the ICP (Room 1.033, Allmandring 3).
 The handinexercises are to be made in groups of two or three people. We will not accept handinexercises that only have a single name on it.
 For the tutorials, you will get a personal account for the ICP machines.
 For most participants, you will need 50% of the points in the handsin exercises to be admitted to the oral examination (see [[#Examination]] for details).
 Usually, we expect you to do the exercises in the CIPPool. Still, we will provide the material that you need on this page, so that you can also do it at home.
 We only have experience with Unix/Linux machines. Although most tools will probably also work on Windows, we cannot guarantee it, and we can also not help you to get it running there.
 To be able to do the exercises, you will need the following software on your machine. All of these packages should be readily available from your OS distribution.
 Python
 The following Python packages:
 IPython
 NumPy
 SciPy
 matplotlib
 A C compiler (e.g. GCC)
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)

 Obtain 50% of the possible points in the handsin excercises of this lecture as a prerequisite for the examination (USLV)
 60 min of oral examination (PL)
 International MSc Physics, Elective Module "Simulation Techniques in Physics I, 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
 After the lecture "Simulation Methods in Physics II" in summer term (i.e. Summer 2013)
 Contents: both lectures and the excercises of "Simulation Methods in Physics I"
 BSc/MSc SimTech, Modul "Simulationsmethoden in der Physik für SimTech I" (40520)

 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 I" (35840)

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