Vorlesungsverzeichnis

19245111

WiSe 21/22: Numerical Methods for Electronic Structure Calculations

Felix Henneke

Zusätzl. Angaben / Voraussetzungen

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Kommentar

Electronic structure calculations form the basis of material science, quantum chemistry, and molecular dynamics. Due to the high dimension of the underlying equations together with strict requirement on the accuracy of the solution, electronic structure calculations pose a unique challenge to mathematical analysis and numerical methods. In this seminar we will discuss fundamental models for the description of electrons and how they can be solved numerically. Topics include the discretization of Schrödinger's equation and the Kohn-Sham equations, the iterative solution of resulting linear and nonlinear eigenvalue problems, and the application of the methods to atoms, small molecules, and crystals. No prior knowledge of physics is necessary to attend this seminar.

Schließen

Literaturhinweise

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16 Termine

Regelmäßige Termine der Lehrveranstaltung

Fr, 16:00 - 17:30 Numerical Methods for Electronic Structure Calculations 16 Termine

Fr, 22.10.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 29.10.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 05.11.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 12.11.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 19.11.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 26.11.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 03.12.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 10.12.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 17.12.2021 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 07.01.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 14.01.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 21.01.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 28.01.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 04.02.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 11.02.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Fr, 18.02.2022 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Dozenten:
Dr. Felix Henneke

Räume:
A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Zur Modulübersicht

Ort: A7/SR 140 Seminarraum (Hinterhaus) (Arnimallee 7)

Zeit: Fr 16:00-17:30

Erster Termin: 22.10.2021

Unterrichtssprache: Englisch

SWS: 2

Teilnehmerzahl: 12

Platzbeschränkung: Ja

Teilnahmepflicht: Ja

Module zu dieser LV: