387.085 Numerical Simulation of Molecular Dynamics
This course is in all assigned curricula part of the STEOP.
This course is in at least 1 assigned curriculum part of the STEOP.

2020S, VO, 1.5h, 2.0EC
TUWEL

Properties

  • Semester hours: 1.5
  • Credits: 2.0
  • Type: VO Lecture

Learning outcomes

After successful completion of the course, students are able to understand how molecular motion can be described, how the electrons and nuclei interact with each other and with light, and how one can observe these processes. They also know the basic tools to perform numerical simulations of molecular dynamics (with a focus on excited states) and the most important rules for carrying out the simulations in a feasible manner.

Subject of course

Schrödinger equation, Born-Oppenheimer approximation, Excited states, Electronic structure theory, Time propagation of wave functions, Light-matter interactions, Classical and mixed quantum-classical dynamics methods, Simulation of time-dependent observables, Overview over state-of-the-art nuclear dynamics methods and electronic structure methods

Teaching methods

Conventional lecture with computer demonstrations.

Mode of examination

Written and oral

Lecturers

Institute

Course dates

DayTimeDateLocationDescription
Thu14:00 - 16:0012.03.2020Seminarraum 387 Vorlesung

Examination modalities

Written or oral examination at the end of the lecture series

Course registration

Begin End Deregistration end
10.03.2020 14:10 31.03.2020 23:59

Curricula

Study CodeObligationSemesterPrecon.Info
710 FW Elective Courses - Electrical Engineering Elective

Literature

No lecture notes are available.

Language

English