Simulation Methods in Physics II SS 2017

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Lecture (2 SWS) and Tutorials "Simulationsmethoden in der Praxis" (2 SWS)
Prof. Dr. Christian Holm, JP Dr. Maria Fyta
Course language
Location and Time
Lecture: Thu, 11:30 - 13:00; ICP, Allmandring 3-->, Seminar Room (room 01.079)
Tutorials: Thu, 15:45 – 17:15 (Tutors: Dr. Frank Uhlig, David Sean; ICP, Allmandring 3, CIP-Pool (room 01.033)

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 containing the lecture "Simulation Methods in Physics II".

These hands-on-tutorials 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.


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.


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. Obtaining 50% of the possible marks in the hand-in exercises.

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

Oral Examination

Please email to Christian Holm or Maria Fyta in order to arrange a date in September or October for the 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.


Date Subject Resources
13.04.2017 Classical force fields, Atomistic simulations, Biomolecules
20.04.2017 Water models Lecture Notes}}
27.04.2017 Coarse-grained models, simulations of macromolecules and soft matter Lecture Notes}}
04.05.2017 Poisson-Boltzmann theory Lecture Notes}}
11.05.2017 Hydrodynamic methods Lecture Notes}}
18.05.2017 Free energy methods Lecture Notes}}
25.05.2017 Holiday (Christi Himmelfahrt)
01.06.2017 Advanced MC/MD methods
08.06.2017 Holiday (Pfingsten) Lecture Notes}}
15.06.2017 Holiday (Fronleichnam) Lecture Notes}}
22.06.2017 Ab initio methods, Hartree-Fock Lecture Notes}}
29.06.2017 post Hartree Fock Lecture Notes}}
06.07.2017 Density functional theory and functionals Lecture Notes}}
13.07.2017 ab initio MD, Car-Parrinello MD Lecture Notes}}
20.07.2017 Long range interactions in periodic boundary conditions Lecture Notes}}


Location and Time

  • The tutorials take place in the CIP-Pool on the first floor of the ICP (Room 01.033, Allmandring 3), Thu, 15:45 – 17:15 (Tutors: Frank Uhlig / David Sean )


Worksheet 1: Properties and Fitting of Atomistic Water models