Sereina Riniker: Catalogue data in Spring Semester 2023 |
| Name | Prof. Dr. Sereina Riniker |
| Field | Computational Chemistry |
| Address | Inst. Mol. Phys. Wiss. ETH Zürich, HCI G 225 Vladimir-Prelog-Weg 1-5/10 8093 Zürich SWITZERLAND |
| Telephone | +41 44 633 42 39 |
| sriniker@ethz.ch | |
| URL | http://www.riniker.ethz.ch |
| Department | Chemistry and Applied Biosciences |
| Relationship | Associate Professor |
| Number | Title | ECTS | Hours | Lecturers | |||||||||||||||||||||||||||||||||||
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| 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 | ||||||||||||||||||||||||||||||||||||||