Universität Wien
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262010 VO Introduction to Computational Chemistry and Physics (2023S)

3.00 ECTS (2.00 SWS), SPL 26 - Physik
Moodle

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Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

  • Friday 10.03. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 17.03. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 24.03. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 31.03. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 21.04. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 28.04. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 05.05. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 12.05. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 19.05. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 26.05. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 02.06. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 09.06. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 16.06. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01
  • Friday 23.06. 09:45 - 11:15 Seminarraum 9, Kolingasse 14-16, OG01

Information

Aims, contents and method of the course

The lecture is dedicated to master students in computational science with a background in mathematics and informatics, as well as master students of material chemistry. The course summarizes the basic principles of computational physics and chemistry and provides the fundamental knowledge for the advanced topics in computational chemistry in physics in the master programs:
* Fundamentals of quantum mechanics
* Theory of the chemical bond
* Electronic structure methods
* Fundamentals of nuclear motion
* Fundamentals of statistical mechanics

The lecture is accompanied by exercises that should be attended simultaneously.

Assessment and permitted materials

There will be ONE written exam at the end of the semester (probably on Friday, June 23rd). Calculators and computers are not allowed at the exam.

Minimum requirements and assessment criteria

The assessment is based on the points in the final exam:

Points Grade
< 50% 5
< 62% 4
< 75% 3
< 90% 2
>= 90% 1

Examination topics

* Fundamentals of quantum mechanics
* Theory of the chemical bond
* Electronic structure methods
* Fundamentals of nuclear motion
* Fundamentals of statistical mechanics

Reading list

"Molecular Modelling: Principles and applications" Andrew R. Leach
"Computational Physics", Jos Thijssen

Association in the course directory

ICCP, Angleichsmodul

Last modified: Th 27.07.2023 11:47