270049 VO+UE Simulation of Chemical Dynamics (2019W)
Continuous assessment of course work
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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).
- Registration is open from Su 01.09.2019 08:00 to We 25.09.2019 23:59
- Deregistration possible until We 25.09.2019 23:59
Details
max. 25 participants
Language: German, English
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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
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
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.