Simulation Methods in Physics II SS 2017
- 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.
- 1. Obtaining 50% of the possible marks in the hand-in exercises.
The final grade will be determined from the final oral examination.
Useful online resources
- Roethlisberger, Tavernarelli, EPFL, Lausanne, 2011: Introduction to electronic structure methods.
- E-Book: Kieron Burke et al.,University of California, 2007: E-Book: The ABC of DFT.
- Linux cheat sheet here (53 KB).
- A good and freely available book about using Linux: Introduction to Linux by M. Garrels
- 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.
|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
- Deadline: May 1, 2017
- Worksheet (274 KB)
- templates.tar.gz (110 KB)
- latex-template.tex (7 KB) - LaTeX template for the report