Sereina Riniker: Catalogue data in Spring Semester 2023

Name Prof. Dr. Sereina Riniker
FieldComputational 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
E-mailsriniker@ethz.ch
URLhttp://www.riniker.ethz.ch
DepartmentChemistry and Applied Biosciences
RelationshipAssociate Professor

NumberTitleECTSHoursLecturers
529-0460-00LComputer Simulation0 credits1SP. H. Hünenberger, S. Riniker
AbstractGroup meeting
ObjectiveGroup meeting
Prerequisites / NoticeGroup meeting
529-0483-00LStatistical Physics and Computer Simulation Information 6 credits2V + 1US. Riniker, P. H. Hünenberger
AbstractPrinciples 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.
ObjectiveIntroduction to statistical mechanics with the aid of computer simulation; development of skills to carry out statistical mechanical calculations using computers and interpret the results.
ContentPrinciples 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.
Literaturewill be announced in the course
Prerequisites / NoticeSince 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.
CompetenciesCompetencies
Subject-specific CompetenciesConcepts and Theoriesassessed
Techniques and Technologiesassessed
Method-specific CompetenciesAnalytical Competenciesassessed
Decision-makingassessed
Problem-solvingassessed
Project Managementassessed
Social CompetenciesCooperation and Teamworkassessed
Negotiationassessed
Personal CompetenciesAdaptability and Flexibilityassessed
Critical Thinkingassessed
Self-direction and Self-management assessed
529-0499-00LPhysical Chemistry0 credits1KG. 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
AbstractSeminar series covering current developments in Physical Chemistry
ObjectiveDiscussing current developments in Physical Chemistry