Course catalog

19245111

WiSe 21/22: Numerical Methods for Electronic Structure Calculations

Felix Henneke

Additional information / Pre-requisites

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Comments

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.

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Suggested reading

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16 Class schedule

Regular appointments

Fri, 16:00 - 17:30 Numerical Methods for Electronic Structure Calculations 16 Class schedule

Fri, 2021-10-22 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-10-29 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-11-05 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-11-12 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-11-19 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-11-26 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-12-03 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-12-10 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2021-12-17 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-01-07 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-01-14 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-01-21 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-01-28 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-02-04 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-02-11 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Fri, 2022-02-18 16:00 - 17:30

Numerical Methods for Electronic Structure Calculations

Lecturers:
Dr. Felix Henneke

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

Back to list of modules

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

Schedule: Fr 16:00-17:30

Class starts on: 2021-10-22

Course language: English

Contact hours: 2

Number of participants: 12

Limited attendance: Yes

Attendance required: Yes

Modules where this course belongs: