Universität Wien

270080 VU Molecular dynamics simulations and their analysis (2022S)

4.00 ECTS (3.00 SWS), SPL 27 - Chemie
Continuous assessment of course work
Moodle

Registration/Deregistration

Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).

Details

max. 30 participants
Language: German

Lecturers

Classes (iCal) - next class is marked with N

  • Wednesday 02.03. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 09.03. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 16.03. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 23.03. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 30.03. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 06.04. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 27.04. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 04.05. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 11.05. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 18.05. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 25.05. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 01.06. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 08.06. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 15.06. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 22.06. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42
  • Wednesday 29.06. 11:00 - 12:00 Hörsaal 4 Chemie HP Währinger Straße 42

Information

Aims, contents and method of the course

This course introduces the techniques and evaluation methods of molecular dynamics simulations. We learn how to generate a trajectory (=film of moving molecules) and use it to predict or explain structural and dynamical properties of matter.

Assessment and permitted materials

If no face-to-face exams are possible during the summer due to the Corona situation, openbook exams will be offered.

All kinds of plagiarism are prohibited.

Minimum requirements and assessment criteria

At least 50% of the points in the final exam are required for a positive evaluation.

Examination topics

Fundamentals of molecular dynamics simulations, intra- and intermolecular potentials, common evaluation methods for structure elucidation, and transport properties.

Reading list

Andrew Leach: "Molecular Modelling: Principles and Applications"

Association in the course directory

D.3, TC-3

Last modified: Fr 25.02.2022 14:29