TU Berlin

Mathematical and numerical analysis of electronic structure modelsProgram

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The presentations will be held in room number 2005

A description, in english and german, how you will get to the room can be found here.


Program (Preliminary Version)
Monday, 7th April
Tuesday, 8th April
Wednesday, 9th April
Thursday, 10th April
9:00 -10:00
Extrapolation of the electronic energy

Andreas Savin
Reponse of crystals to time-dependent perturbations

Gabriel Stoltz
Greedy algorithms for electronic structure calculations in quantum chemistry

Virginie Ehrlacher
Error analysis of operator splitting methods for nonlinear Schrödinger equations and applications to the MCTDHF equations in electron dynamics

Mechthild Thalhammer
10:00 - 10:30
                                        Coffee Break

10:30 - 11:30
The electron pair densities in density functional theory

Huajie Chen
Green's function method for electron excitation: the GW approximation and the related computational issues

Chao Yang
Low-rank approximations and subspace-based model reduction

Anthony Nouy
A posteriori analysis of a nonlinear Gross-Pitaevsii type eigenvalue problem

Geneviève Dusson
11:30 - 12:30
Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

Christian Mendl
Existence of minimizers for Kohn-Sham within the local spin density approximation

David Gontier
Numerical methods for trace minimization using low-rank tensor train format

André Uschmajew
Absorbing boundaries: Exterior complex scaling versus perfectly matched layers

Hans Peter Stimming

12:30 - 14:00
                                           Lunch Break

14:00 - 15:00
Asymptotic singular analysis of the Bethe-Goldstone equations

Heinz-Jürgen Flad
On the analysis of the discretized Kohn-Sham density functional theory

Wen Zaiwen
Grid-based tensor approach in Hartree-Fock calculations for extended and lattice-structured systems

Boris Khoromskij
A parallel-in-orbital algorithm for electronic structure calculations

Xiaoying Dai
15:00 - 16:00
Bivariational approximations and the orbital-adaptive coupled-cluster method

Simen Kvaal
Minimization principles and computation of the linear response eigenvalue problems

Zhaojun Bai
The treatment of high dimensional problems by means of tensor format

Mike Espig
End of Workshop
16:00 - 16:30
                                        Coffee Break
16:30 - 17:30
A posteriori error estimates for discontinuous Galerkin methods using non-polynomial basis functions with applications to Kohn-Sham density functional theory calculation

Lin Lin
Spectral gaps in quantum spin lattices: from tensor networks to undecidability

Michael Wolf

CONFERENCE DINNER at Ottenthal, Kantstraße 153, 10623 Berlin




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