computational science and engineering …computer simulation methods in (classical) statistical...
TRANSCRIPT
![Page 1: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/1.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
1
Computational Science and Engineering
Specialization in Theoretical Physics
Experiment Theory
![Page 2: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/2.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
1
Computational Science and Engineering
Specialization in Theoretical Physics
Experiment Theory
Computational Physics
![Page 3: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/3.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
1
Computational Science and Engineering
Specialization in Theoretical Physics
Experiment Theory
Computational Physics
Landau’s triangle
![Page 4: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/4.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
![Page 5: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/5.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
![Page 6: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/6.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
![Page 7: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/7.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
Model
![Page 8: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/8.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
Model
• Problems are often too hard to solve analytically
![Page 9: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/9.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
Model
• Problems are often too hard to solve analytically
![Page 10: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/10.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
Model
• Problems are often too hard to solve analytically
• Problems are often too hard to compute solution in a direct way: cost ~ exp(N)
![Page 11: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/11.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
2
The challenge
Model
• Problems are often too hard to solve analytically
• Problems are often too hard to compute solution in a direct way: cost ~ exp(N)
Developing accurate, efficient, clever numerical algorithms is a key goal in Computational Physics
![Page 12: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/12.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
3
Example
State-of-the-art simulations of 300’000 quantum particles compared to experiments
S. Trotzky, L. Pollet, F. Gerbier, U. Schnorrberger, I. Bloch, N. V. Prokof/’ev, B. Svistunov, and M. Troyer, Nat Phys 6, 998–1004 (2010).
![Page 13: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/13.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
Choose two or four of five courses Introduction to Computational Physics (Prof. H. J. Hermann)
Methods for physics problems and their implementation on PCs and supercomputers (classical equations of motion, partial differential equations, Monte Carlo simulations, phase transitions, ...)
Computational Statistical Physics (Prof. H. J. Hermann)Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...)
Computational Quantum Physics (Prof. M. Troyer)Simulation methods for quantum systems (incl. quantum many-body systems)(e.g. Quantum Monte Carlo, Density Functional theory, Hartree Fock, exact diagonalization, ...)
Computational Polymer Physics (Prof. E. Del Gado)Computational techniques for simple and complex materials, in particular polymeric liquids(e.g. Monte Carlo, equilibrium and non-equilibrium molecular dynamics, and Brownian dynamics, ...)
Advanced Quantum Chemistry (Prof. M. Reiher)Advanced topics of theory and method development in quantum chemistry(e.g. configuration interaction (CI), coupled cluster (CC), many-body perturbation theory, multi-reference methods (MCSCF, CASSCF, MR-CI, MR-MP2/CASPT2) and excited states, and density functional theory (DFT))
4
Theoretical Physics
![Page 14: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational](https://reader033.vdocuments.mx/reader033/viewer/2022042222/5ec87b9eb4138a4902462dad/html5/thumbnails/14.jpg)
Philippe Corboz, ITP, ETHZ
DPHYSDepartment of Physics
Institute for Theoretical Physics
Seminar in Theoretical Physics for CSE (Dr. P. Corboz)Present a talk on an advanced topic in modern theoretical or computational physics
In this domain of specialization you will get a deeper understanding of the relevant physical models
learn fundamental algorithms and methods to simulate classical and quantum systems
learn about a wide range of interesting models and problems
5
Theoretical Physics