Aller au contenu

Fractional spin/charge states in quantum chemistry (LCPQ / Zoom Seminar) – 21/10, 14H.

By Stijn De Baerdemacker from University of New Brunswick in Canada (http://www2.unb.ca/~sde6/) Stjin's work lies at the interface of Chemistry, Physics and Mathematics (http://www2.unb.ca/~sde6/publications.html). Abstract: Many of the challenges in popular electronic structure methods for molecules are related to the (de)localization of electrons over the different subsystems in the compounds. We show how incorporating suitable… Read More »Fractional spin/charge states in quantum chemistry (LCPQ / Zoom Seminar) – 21/10, 14H.

Calculs de propriétés physico-chimiques à l’échelle atomique pour un meilleur dialogue théorie/expérience : applications aux nanostructures à base de carbone et nouveaux matériaux 2D (Iann Gerber / LPCNO / HDR) – 28/10, 10H30

Amphi Vinci, bâtiment 20 du LPCNO INSA – LPCNO : 135 avenue de Rangueil, Toulouse, France

Composition du jury : Mme Magali Benoit (CEMES Toulouse) examinatrice Mme Claudine Katan (ISCR Rennes) rapportrice Mme Marie-Laure Bocquet (ENS, Paris) rapportrice M. Xavier Blase (Institut Néel, Grenoble) rapporteur M. Lionel Calmels (CEMES, Toulouse) examinateur M. Romuald Poteau (LPCNO, Toulouse) parrain ainsi que des membres invités suivants : M. Pascal Puech (CEMES, Toulouse) M. Philippe… Read More »Calculs de propriétés physico-chimiques à l’échelle atomique pour un meilleur dialogue théorie/expérience : applications aux nanostructures à base de carbone et nouveaux matériaux 2D (Iann Gerber / LPCNO / HDR) – 28/10, 10H30

Comment la future phase de haute luminosité du collisionneur LHC du CERN, qui doit permettre l’étude des interactions du boson de Higgs, bouscule notre façon de calculer (Catherine Biscarat et Sylvain Caillou / SFP / Seminar) – 29/10, 11H30

Amphi CONCORDE, Bâtiment U4 Amphithéâtre Concorde - Université Paul Sabatier, Toulouse, France

Catherine Biscarat et Sylvain Caillou (Laboratoire de 2 Infinis, L2IT) Téléchargez la présentation du séminaire: Seminaire SFP 29 octobre 2021 Amphi Concorde, U4

L’effet tunnel assisté par le chaos comme nouvel outil pour la simulation quantique (Maxime Martinez / LPT / thèse) – 29/10/2021, 14H.

Amphithéâtre Schwartz de l'IMT, Bat. 1R3

Maxime Martinez, LPT/ amphithéâtre Schwartz de l'IMT (bâtiment 1R3) Résumé : L’effet tunnel est une manifestation emblématique de la nature ondulatoire de la matière. Il décrit le passage de particules quantiques à travers des barrières de potentiel classiquement infranchissables. Lorsqu’il se produit dans des systèmes dont la dynamique classique est mixte, c’est à dire intermédiaire… Read More »L’effet tunnel assisté par le chaos comme nouvel outil pour la simulation quantique (Maxime Martinez / LPT / thèse) – 29/10/2021, 14H.

Topological barriers of the bacterial genome (Marc Joyeux / LPT / Seminar) – 9/11, 14H.

Visio

Marc Joyeux (Université Grenoble Alpes) Bacterial genomes are partitioned into several kilobases long chromosomal domains that are topologically independent from each other, meaning that changes of DNA superhelicity in one domain do not propagate to neighbors. Both in vivo and in vitro experiments have been performed to question the nature of the topological barriers at… Read More »Topological barriers of the bacterial genome (Marc Joyeux / LPT / Seminar) – 9/11, 14H.

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

Visio

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.

Visio

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)

Visio

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