Simulation Methods in Physics II SS 2014

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Overview

Type
Lecture (2 SWS) and Tutorials "Simulationsmethoden in der Praxis" (2 SWS)
Lecturer
JP. Dr. Maria Fyta, (Lecture), Prof. Dr. Christian Holm; Dr. Jens Smiatek; Mr. Bibek Adhikari; Mr. Narayanan Krishnamoorthy Anand (Tutorials)
Course language
English
Lectures
Time: Thursdays, 11:30 - 13:00, ICP, Allmandring 3, Seminarroom 1
Tutorials
Time: TBA, ICP, Allmandring 3, CIP-Pool

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 hands-on-tutorials which will take place in the CIP-Pool 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 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 each worksheet

The final grade will be determined from the final oral examination.

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

Date Subject Resources
10.04.2014 Introduction, electronic stucture
15.04.2014 Elements of quantum mechanics, Hartree and Hartree-Fock approximations
22.04.2014 Density functional theory (DFT), functionals, pseudopotentials
24.04.2014 Time-dependent density functional theory, post-Hartree-Fock methods
01.05.2014 Holiday (Labor Day)
08.05.2014 Water models (explicit, implicit), Born model of solvation
15.05.2014 Coarse-grained models, simulations of macromolecules and soft matter
22.05.2014 Long range interactions in periodic boundary conditions
29.05.2014 Holiday (Christi Himmelfahrt)
12.06.2014 Holiday (Pfingsten) Implicit solvent models
19.06.2014 Holiday (Fronleichnam)
26.06.2014 Poisson-Boltzmann theory, charged polymers
03.07.2014 Hydrodynamic methods: DPD, Lattice-Boltzmann
10.07.2014 Advanced MC/MD methods
17.07.2014 Free energy methods

Tutorials

  • The tutorials will take place in the ICP CIP-Pool. Day and time will be announced
  • New worksheets are handed out every two weeks. The first worksheet will be handed out on Thu. 17.04. 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 responsible tutor (Bibek Adhikari or Narayanan Krishnamoorthy Anand) before the next worksheet will be handed out. The two-week cycle ends with the discussion of results of the previous worksheet and handing out a new one.
  • Assessment of the tutorials

Each task within the tutorial is assigned a given number of points. Each student should have 50 % of the points from each tutorial as a prerequisite for the oral examination.

Worksheets

Examination

There is an oral examination at the end of the semester. All students having obtained 50% of the points from each tutorial are eligible to take the exam. The duration of the exam depends on the module this lecture is part of. Briefly,

BSc/MSc Physik, Modul "Simulationsmethoden in der Physik"
60 min exam (contents from both parts SMI + SMII will be examined)
International MSc Physics, Elective Module "Simulation Techniques in Physics II" (240918-005)
30 min exam (content only from SMII will be examined).
BSc/MSc SimTech, Modul "Simulationsmethoden in der Physik für SimTech II"
40 min (content from SMII will be examined).

For additional information/modules, please contact us (Maria Fyta, Jens Smiatek).