Philippe Henry Hünenberger: Catalogue data in Spring Semester 2023 |
| Name | Prof. Dr. Philippe Henry Hünenberger |
| Address | Lab. für Physikalische Chemie ETH Zürich, HCI G 233 Vladimir-Prelog-Weg 1-5/10 8093 Zürich SWITZERLAND |
| Telephone | +41 44 632 55 03 |
| phil@igc.phys.chem.ethz.ch | |
| Department | Chemistry and Applied Biosciences |
| Relationship | Adjunct Professor |
| Number | Title | ECTS | Hours | Lecturers | |||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 401-5940-00L | Seminar in Chemistry for CSE | 4 credits | 2S | P. H. Hünenberger, M. Reiher | |||||||||||||||||||||||||||||||||||
| Abstract | The student will carry out a literature study on a topic of his or her liking or suggested by the supervisor in the area of computer simulation in chemistry, the results of which are to be presented both orally and in written form. | ||||||||||||||||||||||||||||||||||||||
| Learning objective | |||||||||||||||||||||||||||||||||||||||
| 529-0460-00L | Computer Simulation | 0 credits | 1S | P. H. Hünenberger, S. Riniker | |||||||||||||||||||||||||||||||||||
| Abstract | Group meeting | ||||||||||||||||||||||||||||||||||||||
| Learning objective | Group meeting | ||||||||||||||||||||||||||||||||||||||
| Prerequisites / Notice | Group meeting | ||||||||||||||||||||||||||||||||||||||
| 529-0483-00L | Statistical Physics and Computer Simulation  | 6 credits | 2V + 1U | S. Riniker, P. H. Hünenberger | |||||||||||||||||||||||||||||||||||
| Abstract | Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, stochastic dynamics and free energy calculation. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages. | ||||||||||||||||||||||||||||||||||||||
| Learning objective | Introduction to statistical mechanics with the aid of computer simulation; development of skills to carry out statistical mechanical calculations using computers and interpret the results. | ||||||||||||||||||||||||||||||||||||||
| Content | Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, stochastic dynamics and free energy calculation. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages. | ||||||||||||||||||||||||||||||||||||||
| Literature | will be announced in the course | ||||||||||||||||||||||||||||||||||||||
| Prerequisites / Notice | Since the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the written exam, the results of a small programming project will be presented in a 10-minutes talk by pairs of students who had been working on the project. Additional information will be provided in the first lecture. | ||||||||||||||||||||||||||||||||||||||
| Competencies |
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| 529-0499-00L | Physical Chemistry | 0 credits | 1K | G. Jeschke, A. Barnes, M. Ernst, P. H. Hünenberger, F. Merkt, M. Reiher, J. Richardson, R. Riek, S. Riniker, T. Schmidt, R. Signorell, H. J. Wörner | |||||||||||||||||||||||||||||||||||
| Abstract | Seminar series covering current developments in Physical Chemistry | ||||||||||||||||||||||||||||||||||||||
| Learning objective | Discussing current developments in Physical Chemistry | ||||||||||||||||||||||||||||||||||||||