Numerical Analysis Seminar in SS 2009 on Numerical Methods in Quantum Molecular Dynamics

Lecturers

Place

HG G 26.1

Date

Wednesday, 8-10. The first meeting will take place on 20th February 2009. At this meeting, we will assign topics and discuss the organization of the seminar.

Schedule

25.02.09	Vasile Gradinaru	Introduction
29.04.09	Markus Sprecher	Space Discretization by Spectral Methods: Hermite (III.1.1 and III.1.2)
06.05.09	Benjamin Abt	Space Discretization by Spectral Methods: Fourier (III.1.3 and III.1.4)
20.05.09	Sebastian Stich	Splitting and Composition Methods (III.3)
27.05.09	Daniel Kressner	Polynomial Approximations to the Matrix Exponential (III.2.2)

Motivation of the seminar

The time-dependent Schrödinger equation in many space dimensions governs quantum molecular dynamics. Standard direct discretisation strategies suffer from the curse of dimensionality. The usual rescue is to give up the linearity of the equation in order to reduce the dimensionality of the problem. The seminar focuses on ideas from the model reduction and the appropiate numerical methods.

Topics

The pdf file topics.pdf contains a list of suitable topics for the seminar. This seminar largely follows the book From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis by Christian Lubich. Please contact Vasile Gradinaru if you are interesting in obtaining a copy of this book before the seminar starts.

Organization

Each seminar talk should be between 60 and 80 minutes. Some topics can be shared. We appreciate blackboard talks, possibly comined with a computer presentation for numerical experiments/illustrations. Please contact us at least 3 weeks before giving the talk to discuss the structure of the talk.