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270142 VO+UE Simulation of Chemical Dynamics (2018W)

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


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


max. 25 participants
Language: German, English



First meeting:
Wednesday, 3.10.2018, 9:00 am - 12:00 pm
PC Pool, second floor, Institut für Theoretische Chemie, Währinger Str. 17

Further meetings:
Wednesday, 9:00 am - 12:00 pm
PC Pool, second floor, Institut für Theoretische Chemie, Währinger Str. 17

at the 10.10. and 9.1.
Seminar room, ground floor, Institute for computer-aided biological chemistry, Währinger Str. 17


Aims, contents and method of the course

Zeitabhängige Schrödingergleichung
Korrelationsfunktionenen und Spektren
Wechselwirkung zwischen Licht und Materie
Numerische Ansätze
Semiklassische Dynamik
Klassische Molekulardynamik
Statistische Thermodynamik
Hybrid-Ansätze für Dynamik
Verständnis des zeitabhängigen Verlaufs von chemischen Reaktionen auf mikroskopischer Ebene

Time-dependent Schrödinger equation
Correlation funkctions and spectra
Interaction of light and matter
Numerical approaches
Semiclassical dynamics
Classical molecular dynamics
Statistical thermodynamics
Hybrid apporaches for dynamics
Understanding the time-dependent evolution of chemical reactions on the microscopic scale.

Assessment and permitted materials

Minimum requirements and assessment criteria

Examination topics

Reading list

Association in the course directory


Last modified: Mo 01.10.2018 11:48