20115901
Vorlesung
SoSe 17: Methods of Molecular Simulations
Petra Imhof
Kommentar
This course teaches molecular simulation algorithms and techniques, in particular:
- Optimisation of stationary points on the potential energy surface
- Normal mode analysis
- Computation of Minimum energy pathways -Implicit Solvent Methods
- Electrostatic treatment
- Molecular dynamics algorithm and integrators
- Monte Carlo sampling
- Thermostats and Barostats
Description:
Exercises will be computer based
13 Termine
Regelmäßige Termine der Lehrveranstaltung
Do, 20.04.2017 16:00 - 18:00
Do, 27.04.2017 16:00 - 18:00
Do, 04.05.2017 16:00 - 18:00
Do, 11.05.2017 16:00 - 18:00
Do, 18.05.2017 16:00 - 18:00
Do, 01.06.2017 16:00 - 18:00
Do, 08.06.2017 16:00 - 18:00
Do, 15.06.2017 16:00 - 18:00
Do, 22.06.2017 16:00 - 18:00
Do, 29.06.2017 16:00 - 18:00
Do, 06.07.2017 16:00 - 18:00
Do, 13.07.2017 16:00 - 18:00
Do, 20.07.2017 16:00 - 18:00