Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France

December 2020 :

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Computation and Understanding in Quantum Molecular Science

Quantum Chemistry appears as highly computational discipline, it applies sophisticated methods to obtain reliable estimates of observables of specific systems. But it is more than a technical tool of prediction, it also provides general insights, interpretations and models. Understanding plays a role at three levels :

i) on the one hand understanding of the formal structure of the many-body problem is necessary to conceive appropriate tools and accurate estimates,

ii) on the other hand understanding the physical effects governing a given property allows one to control and tune this property and sometimes to conceive new interesting architectures.

iii) finally, understanding is a major satisfaction in the life of a researcher.

During his long career, Jean-Paul Malrieu has contributed to significant developments in the conception on theoretically grounded computational tools and in qualitative analysis of properties. 2019 is the year of his 80th anniversary. We would like to organize a meeting which would gather contributors, illustrating these two quests of understanding. Of course some place will be reserved for festive activities.

We hope to see you soon in Toulouse!

For more details, see the website of the conference