Markus Reiher: Catalogue data in Spring Semester 2019

Name	Prof. Dr. Markus Reiher
Field	Theoretische Chemie
Address	Inst. Mol. Phys. Wiss. ETH Zürich, HCI F 235 Vladimir-Prelog-Weg 1-5/10 8093 Zürich SWITZERLAND
Telephone	+41 44 633 43 08
E-mail	markus.reiher@phys.chem.ethz.ch
Department	Chemistry and Applied Biosciences
Relationship	Full Professor

Number	Title	ECTS	Hours	Lecturers
401-3667-19L	Case Studies Seminar (Spring Semester 2019)	3 credits	2S	V. C. Gradinaru, R. Hiptmair, K. Nipp, M. Reiher
Abstract	In the CSE Case Studies Seminar invited speakers from ETH, from other universities as well as from industry give a talk on an applied topic. Beside of attending the scientific talks students are asked to give short presentations (10 minutes) on a published paper out of a list.
Learning objective
Content	In the CSE Case Studies Seminar invited speakers from ETH, from other universities as well as from industry give a talk on an applied topic. Beside of attending the scientific talks students are asked to give short presentations (10 minutes) on a published paper out of a list (containing articles from, e.g., Nature, Science, Scientific American, etc.).
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. For more information: www.csms.ethz.ch/education/RW
Learning objective
529-0470-00L	Literature Seminar in Theoretical Chemistry	0 credits	2S	M. Reiher
Abstract	In depth study of selected recent papers on theoretical chemistry
Learning objective	Doktorats- und Mitarbeiterschulung
Content	Variiert nach aktuellem Stand der Forschung
Literature	Will be announced on www.reiher.ethz.ch/courses-and-seminars.html
529-0474-00L	Quantum Chemistry	6 credits	3G	M. Reiher, T. Weymuth
Abstract	Introduction into the basic concepts of electronic structure theory and into numerical methods of quantum chemistry. Exercise classes are designed to deepen the theory; practical case studies using quantum chemical software to provide a 'hands-on' expertise in applying these methods.
Learning objective	Nowadays, chemical research can be carried out in silico, an intellectual achievement for which Pople and Kohn have been awarded the Nobel prize of the year 1998. This lecture shows how that has been accomplished. It works out the many-particle theory of many-electron systems (atoms and molecules) and discusses its implementation into computer programs. A complete picture of quantum chemistry shall be provided that will allow students to carry out such calculations on molecules (for accompanying experimental work in the wet lab or as a basis for further study of the theory).
Content	Basic concepts of many-particle quantum mechanics. Derivation of the many-electron theory for atoms and molecules; starting with the harmonic approximation for the nuclear problem and with Hartree-Fock theory for the electronic problem to Moeller-Plesset perturbation theory and configuration interaction and to coupled cluster and multi-configurational approaches. Density functional theory. Case studies using quantum mechanical software.
Lecture notes	Hand outs in German will be provided for each lecture (they are supplemented by (computer) examples that continuously illustrate how the theory works). Please navigate to the lecture material starting here: https://reiher.ethz.ch/courses-and-seminars/exercises.html
Literature	Textbooks on Quantum Chemistry: F.L. Pilar, Elementary Quantum Chemistry, Dover Publications I.N. Levine, Quantum Chemistry, Prentice Hall Hartree-Fock in basis set representation: A. Szabo and N. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, McGraw-Hill Textbooks on Computational Chemistry: F. Jensen, Introduction to Computational Chemistry, John Wiley & Sons C.J. Cramer, Essentials of Computational Chemistry, John Wiley & Sons
Prerequisites / Notice	Basic knowledge in quantum mechanics (e.g. through course physical chemistry III - quantum mechanics) required
529-0479-00L	Theoretical Chemistry, Molecular Spectroscopy and Dynamics	1 credit	2S	F. Merkt, M. Reiher, J. Richardson, R. Signorell, H. J. Wörner
Abstract	Seminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
Learning objective	Seminar on theoretical chemistry, molecular spectroscopy and dynamics (research seminar)
529-0483-AAL	Statistical Physics and Computer Simulation Enrolment ONLY for MSc students with a decree declaring this course unit as an additional admission requirement. All other students (e.g. incoming exchange students, doctoral students) CANNOT enrol for this course unit.	4 credits	9R	M. Reiher
Abstract	Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, Stochastic dynamics. 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. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.
Literature	see "Course Schedule"
529-0483-00L	Statistical Physics and Computer Simulation	4 credits	2V + 1U	M. Reiher
Abstract	Principles and applications of statistical mechanics and equilibrium molecular dynamics, Monte Carlo simulation, Stochastic dynamics. 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. Exercises using a MD simulation program to generate ensembles and subsequently calculate ensemble averages.
Literature	will be announced in the lecture
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 oral 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.
529-0490-00L	Special Topics in Theoretical Chemistry	0 credits	1S	M. Reiher
Abstract	Weekly seminar programme on special topics in theoretical and quantum chemistry. Talks delivered by PhD students and PostDocs as well as by external speakers.
Learning objective	advanced course for PhD students and other co-workers
Content	variiert je nach Forschungslage
Lecture notes	none
529-0491-00L	Seminar in Computational Chemistry C4	0 credits	2S	M. Reiher, P. H. Hünenberger, S. Riniker
Abstract	Research seminar with invited lecturers
Learning objective
529-0499-00L	Physical Chemistry	1 credit	1K	B. H. Meier, M. Ernst, P. H. Hünenberger, G. Jeschke, 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
529-0809-00L	Theoretical Chemistry Seminar	0 credits	2S	M. Reiher, J. Richardson
Abstract	Seminar on recent developments in Theoretical Chemistry presented by guest speakers.
Learning objective	Doktorats- und Mitarbeiterschulung
Content	Variiert nach aktuellem Stand der Forschung
Literature	Will be announced on http://www.reiher.ethz.ch/courses-and-seminars/theoretical-chemistry.html