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Philippe Corboz, ITP, ETHZ DPHYS Department of Physics Institute for Theoretical Physics 1 Computational Science and Engineering Specialization in Theoretical Physics Experiment Theory

Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational

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Page 1: Computational Science and Engineering …Computer simulation methods in (classical) statistical physics (e.g. Monte Carlo methods, Molecular dynamics, parallelization, ...) Computational

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

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

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

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

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

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

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

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

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

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

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

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

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

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