Philippe Henry Hünenberger: Catalogue data in Autumn Semester 2016

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
E-mailphil@igc.phys.chem.ethz.ch
DepartmentChemistry and Applied Biosciences
RelationshipAdjunct Professor

NumberTitleECTSHoursLecturers
401-5940-00LSeminar in Chemistry for CSE4 credits2SP. H. Hünenberger, M. Reiher
AbstractThe 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.

For more information: www.csms.ethz.ch/education/RW
Objective
529-0001-00LIntroduction to Computer Science4 credits2V + 2UP. H. Hünenberger
AbstractIntroduction to UNIX, data representation, introduction to C++ programming, errors, algorithms, computer architecture, sorting and searching, databases, numerical algorithms, types of algorithms, simulation, data communication & networks, chemical structures, operating systems, programming languages, software engineering.

For more information: www.csms.ethz.ch/education/InfoI
ObjectiveDiscuss fundamentals of computer architecture, languages, algorithms and programming with an eye to their application in the area of chemistry, biology and material science.
ContentMinimal introduction to UNIX, Data representation and processing, algorithms and programming in C++, Errors, programming guidelines, efficiency, computer architecture, algorithms for sorting and searching, databases, numerical algorithms, types of algorithms, simulation, data communication & networks, chemical structures, operating systems, programming languages, style, software engineering.
Lecture notesAvailable (in English), distributed at first lecture
LiteratureSee: www.csms.ethz.ch/education/InfoI
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 the exercises are taken into account when evaluating the results of the exam.

For more information about the lecture: www.csms.ethz.ch/education/InfoI
529-0004-00LComputer Simulation in Chemistry, Biology and Physics Restricted registration - show details 7 credits4GP. H. Hünenberger
AbstractMolecular 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
ObjectiveIntroduction to computer simulation of (bio)molecular systems, development of skills to carry out and interpret computer simulations of biomolecular systems.
ContentMolecular 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.
Lecture notesAvailable (copies of powerpoint slides distributed before each lecture)
LiteratureSee: www.csms.ethz.ch/education/CSCBP
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 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
529-0460-00LComputer Simulation0 credits1SP. H. Hünenberger, S. Riniker
Abstract
Objective
Prerequisites / NoticeGroup meeting
529-0491-00LSeminar in Computational Chemistry C40 credits2SH. P. Lüthi, P. H. Hünenberger, M. Reiher, S. Riniker
Abstract
Objective