529-0004-00L  Computer Simulation in Chemistry, Biology and Physics

SemesterHerbstsemester 2014
DozierendeP. H. Hünenberger
Periodizitätjährlich wiederkehrende Veranstaltung
LehrspracheEnglisch


KurzbeschreibungMolecular models, Force fields, Boundary conditions, Electrostatic interactions, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation.

For more information: www.csms.ethz.ch/education/CSCBP
LernzielIntroduction to computer simulation of (bio)molecular systems, development of skills to carry out and interpret computer simulations of biomolecular systems.
InhaltMolecular models, Force fields, Spatial boundary conditions, Calculation of Coulomb forces, Molecular dynamics, Analysis of trajectories, Quantum-mechanical simulation, Structure refinement, Application to real systems. Exercises: Analysis of papers on computer simulation, Molecular simulation in practice, Validation of molecular dynamics simulation.
SkriptAvailable (copies of powerpoint slides distributed before each lecture)
LiteraturSee: www.csms.ethz.ch/education/CSCBP
Voraussetzungen / BesonderesSince the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the oral exam, the results of the exercises are taken into account when evaluating the results of the exam.

For more information about the lecture: www.csms.ethz.ch/education/CSCBP