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Advances in optical spectroscopies of solids : Insight from ab initio simulations (Nicolas Tancogne-Dejean / LPT / Seminar) – 16/11 – 14H.

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Nicolas Tancogne-Dejean (MPSD, Hambourg) All-optical spectroscopy of matter is a well-established technique to access properties of electrons and quasi-particles in matter. The description of these optical properties is usually done employing ab initio methods based on linear response theory. The recent advances in experimental techniques have opened up the possibility to develop novel types of… Read More »Advances in optical spectroscopies of solids : Insight from ab initio simulations (Nicolas Tancogne-Dejean / LPT / Seminar) – 16/11 – 14H.

Hydrodynamic flow and concentration gradients in the gut enhance neutral bacterial diversity (Darka Labavic / LPT / seminar). – 23/11, 14 H.

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Darka Labavic (Laboratoire Jean Perrin) - en visio In humans, the digestive tract contains the majority if the microbiota which is essential for the health of an individual. The digestive tract itself, is a complex system from a point of view of geometry, fluid mechanics, population dynamics, and biodiversity. In this work, we propose a… Read More »Hydrodynamic flow and concentration gradients in the gut enhance neutral bacterial diversity (Darka Labavic / LPT / seminar). – 23/11, 14 H.

Theoretical modeling of paramagnetic chemical shifts in actinide complexes (Ashraful Islam / LCPQ / Thesis). – 24/11, 14H.

salle de séminaire 3ème étage Bâtiment 3r1 Université Toulouse III, Toulouse, France

Ashraful Islam, LCPQ, seminary room, 3rd floor -3r1B4 Abstract: Paramagnetic NMR(pNMR) shifts are the extra induced chemical shifts in a paramagnetic complex compared to its diamagnetic counterpart. pNMR shift of a nucleus can be divided into two terms: the pseudocontact shift which is a "through-space" magnetic dipole-dipole interaction and the contact shift arises from the… Read More »Theoretical modeling of paramagnetic chemical shifts in actinide complexes (Ashraful Islam / LCPQ / Thesis). – 24/11, 14H.

Theory Days 2021 (LPT / 24-26/11)

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Theory Days 2021 : New computational methods for electronic dynamics Organizers : M. Belkacem, M. Rapacioli, P. M. Dinh, and E. Suraud Where : excusively via visioconferencing with zoom Program and the zoom links : Here

Spin-Orbit Physics at Magnetic Interfaces (Aurélien Manchon / LPT / Seminar). – 7/12, 14 H.

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Aurélien Manchon (CINaM, Université d’Aix-Marseille) Magnetic materials lacking inversion symmetry constitute a unique platform for the exploration and control of magnetism. In these systems, typically multilayers of transition metal ferromagnets and heavy metals (W, Pt, Bi2Se3 etc.), interfacial spin-orbit coupling promotes a wealth of physical phenomena, among which the emergence of magnetic skyrmions, spin-to-charge conversion,… Read More »Spin-Orbit Physics at Magnetic Interfaces (Aurélien Manchon / LPT / Seminar). – 7/12, 14 H.

Electronic transitions, statistics and digital tools for quantum chemistry (Mickael Veril/ LCPQ / Thèses) – 9/12/2021, 9H

salle de séminaire 3ème étage Bâtiment 3r1 Université Toulouse III, Toulouse, France

Mickaël Véril,  LCPQ, seminary room, 3rd floor -3r1B4 Abstract: This thesis concerns two main topics: i) molecular electronic excited states and ii) digital tools for theoretical quantum chemistry. The present thesis starts with a study of the GW family of approximations. These are known to be accurate and relatively cheap methodologies for the computation of… Read More »Electronic transitions, statistics and digital tools for quantum chemistry (Mickael Veril/ LCPQ / Thèses) – 9/12/2021, 9H

Mini-symposium (LCPQ / 9-10 december)

The speakers (and titles) are: - Elise Dumont (ENS, Lyon) "Modelling radicals-induced and light-induced damage in DNA” - Nicolas Ferre (Universite Aix-Marseille) "Why hydroxyl matters: NMR and UV-visible spectra of anthraquinones" - Denis Jacquemin (CEISAM, Nantes) "Modelling Excited-State Intramolecular Proton Transfer in Organic Dyes" - Adele Laurent (CEISAM, Nantes) "Molecular simulations of ligand-protein interactions" The… Read More »Mini-symposium (LCPQ / 9-10 december)