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Advanced Electronic Structure

Course 0000000972 in WS 2021/2

General Data

Course Type lecture with integrated exercises
Semester Weekly Hours 3 SWS
Organisational Unit TUM Department of Chemistry
Lecturers Mie Andersen
Albert Bruix Fusté
Chiara Panosetti
Karsten Reuter
Dates

Assignment to Modules

Further Information

Courses are together with exams the building blocks for modules. Please keep in mind that information on the contents, learning outcomes and, especially examination conditions are given on the module level only – see section "Assignment to Modules" above.

additional remarks In this lecture we will take a grand tour through modern computational approaches to molecular modeling. The approaches covered range from (semi-empirical) atomistic potentials/force fields to first-principles techniques that explicitly account for the electronic structure. The aim of the lecture is to provide a first understanding about the underlying methodology, the pros and cons of every approach, as well as the current limitations and challenges. On demand the lecture will be given in English. The lectures take place Tuesdays 14:15h-15:45h and the exercises take place Thursdays 14:00h-15:00h, all in the room CH63214 (Tum Computational Seminar Room). Course registration is required and all other course information is given in Moodle.
Links E-Learning course (e. g. Moodle)
TUMonline entry
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