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Mathematical and numerical analysis of electronic structure modelsMathematical and numerical analysis of electronic structure models

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Workshop on "Mathematical and Numerical analysis of electronic structure models"


Quantum molecular simulation is routinely used in chemistry, condensed matter physics, materials science and nanotechnology and has had a massive impact on these fields. At the same time the mathematical and numerical analyses of the corresponding models have raised an increasing interest in the mathematical community.

The purpose of this workshop is to bring together mathematicians working on various aspects of the study of quantum molecular models (mathematical physics, analysis of PDEs, numerical analysis, numerical methods and scientific computing) and foster interactions between these complementary approaches.

The program will focus in particular on major achievements and open questions on the following areas:

1. Dynamic and linear response (TD DFT, RPA, etc.)

2. Simulation of the N-body Schroedinger equation

3. Tensor product approximation and matrix product states



1. Eric Cances (CERMICS, Paris)

2. Gero Friesecke (Technical University of Munich)

3. Yvon Maday (Université Pierre et Marie Curie, Paris & Brown University, USA)

4. Ai-hui Zhou (Chinese Academy of Sciences (CAS), Beijing)

5. Harry Yserentant and Reinhold Schneider (Technical University of Berlin)


Supported by:

1. DFG priority program SPP1324

2. DFG Research Center MATHEON of the DFG - German research foundation


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