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Mini-school on mathematics in electronic structure theory

The first edition of the "Mini-school on mathematics in electronic structure theory" of the GDR CORREL (http://gdrcorelec.ups-tlse.fr/) held in Paris in January 2017 was a big success. More than 50 people attended the lectures (lectures notes and presentation of the Mini-school at http://gdrcorelec.ups-tlse.fr/index.php?title=MINI-SCHOOL_2017)

We are glad to announce the second edition of the Mini-school that will be held in Paris (Jussieu campus) on the 16th, 17th and 18th of April 2018.

The lectures delivered are intended to be of interest to any person working in the field of electronic structure theory and molecular dynamics and willing to discover or deepen the mathematical aspects of the methods. Master and PhD students, post-docs and any academic are welcome !

To provide a detailed presentation of subjects, we have chosen to give a good amount of time to each lecturer. At this new edition two 9h-long lectures will be proposed :

1) "Stochastic methods for electronic structure theory and molecular dynamics" (9 hours) by Tony Lelièvre, Ecole des Ponts and INRIA, Paris, France

Indicative program (subject to changes and extension) :

- Introduction to stochastic models and numerical methods : Random variables, Monte Carlo methods, Markov chains, Stochastic Differential Equations and links with partial differential equations, Quantum Monte Carlo, etc.

- Applications to molecular dynamics : Free energy calculations, Simulation of rare event, Accelerated dynamics, etc.

2) "Fourier and Laplace transforms, and applications" (9 hours) by Eric Cancès, Ecole des Ponts and INRIA, Paris, France

Indicative program (subject to changes and extension) :

- Fourier and Laplace transforms of functions and distributions

- Fast Fourier transform (FFT)

- Applications in physics and chemistry : electrostatics, linear response theory, Green’s function methods, etc.

If you are interested and willing to participate, please register by sending an email at


and indicate :

- your name and affiliation ;

- whether you want to participate in group lunches the 3 days ;

- whether you are a CNRS staff.

Important : To facilitate the participation of young researchers, no registration fees will be asked. We may also help with housing in student-type accommodation depending on the demands.

If you are not registered to the GDR CORREL, we also invite you to do so on our web site : http://gdrcorelec.ups-tlse.fr/NouvelUtilisateur.py in order to be informed about the different events.

If you have any questions, do not hesitate to send an email to : minischool2018@lct.jussieu.fr

Looking forward to seeing you in Paris !

Michel Caffarel, Eric Cancès, Emmanuel Fromager, and Julien Toulouse.