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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

Registration/Deregistration

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

Details

max. 25 participants
Language: German, English

Lecturers

Classes

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

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


Information

Aims, contents and method of the course

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

Content:
Time-dependent Schrödinger equation
Wavepackets
Correlation funkctions and spectra
Interaction of light and matter
Numerical approaches
Semiclassical dynamics
Classical molecular dynamics
Statistical thermodynamics
Hybrid apporaches for dynamics
Goal:
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

TC-2

Last modified: Mo 01.10.2018 11:48