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Modeling dilute matter under ultracold solvent: from quantum structure to dynamics and reactivity

17-21 mai 2021
Grenoble-IMAG - Grenoble (France)

The workshop will bring together a community of researchers in theoretical chemistry and chemical physics in the fields of reaction dynamics, molecular structure and spectroscopy of ultracold molecules in the gas phase or under cryogenic environments, all characterized by strong nuclear quantum effects. Our goal is to bridge the gap between highly accurate methods usable in small, few degrees of freedom molecular reactions to more approximate schemes needed to address more complex systems in the presence of a cold environment, in the regime where each solvent atom counts but also in the limit of much larger media such as helium nanodroplets. We wish to discuss a broad range of methods, from purely quantum approaches to more approximate semiclassical or effective methods and even continuous descriptions, and evaluate room for cross-fertilization and the possible development of hybrid methods. Due to the sanitary situation, the format of the workshop will be mainly in remote mode. Three main sessions will focus on (1) gas phase reaction dynamics, molecules (2) at equilibrium or (3) undergoing chemical reactions in cryogenic environments.
Discipline scientifique : Chimie théorique et/ou physique - Physique - Physique - Agrégats Moléculaires et Atomiques - Chimie-Physique - Physique Numérique

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