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270049 VO+UE Simulation of Chemical Dynamics (2019W)

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 served).

Details

max. 25 participants
Language: German, English

Lecturers

Classes

First meeting: Tuesday October 1, 9:30 AM, PC-Pool 2nd floor, Institute of Theoretical Chemistry, Währinger Str. 17


Information

Aims, contents and method of the course

Content:
1. Classical Dynamics
Equation of Motion and Force Fields
Periodic Boundary Conditions
Thermostats and Barostats
2. Enhanced-Sampling Techniques
3. Hybrid QM/MM methods
4. Introduction to Quantum Dynamics
Time-Dependent Schrödinger Equation
Wavepackets
Correlation functions and Spectra
Interaction of Light and Matter
Numerical Approaches
5. Semiclassical approaches
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 30.09.2019 14:28