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BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20230112T140000
DTEND;TZID=Europe/Paris:20230112T160000
DTSTAMP:20260423T235814
CREATED:20230108T030044Z
LAST-MODIFIED:20230109T073107Z
UID:8549-1673532000-1673539200@fermi.univ-tlse3.fr
SUMMARY:New strategies for density functional calculations of excited states and application to ultrafast photoreactions in solution (Gianluca Levi/ LCPQ / Seminar) – 12/01/2023\, 14 H
DESCRIPTION:Gianluca Levi\, from the Science Institute of the University of Iceland \n  \nSummary : \n \nSimulating photochemical processes requires methods that can describe different types of electronic excitations and their nuclear energy surfaces. Variational density functional calculations where excited states are obtained as high energy solutions of the Kohn-Sham (KS) equations are emerging as a powerful tool. They have the same computational cost as ground state calculations\, provide analytical atomic forces\, and\, thanks to state-specific orbital relaxation\, can describe a broad range of excitations\, including charge transfer\, Rydberg and doubly excited states. Compared to the ground state\, it is\, however\, more challenging to obtain excited state solutions. First\, excited states typically correspond to saddle points on the multidimensional surface given by the variation of the energy as a function of many electronic degrees of freedom (the orbital rotations). Second\, excited states often display degeneracies\, which lead to convergence issues for common self-consistent field procedures based on eigensolvers.\nThe talk will illustrate the methodologies that we have developed for variational density functional calculations of excited states1\,2\, which\, instead of solving the KS eigenvalue problem\, directly optimize the orbitals by finding the orbital rotations that make the energy stationary. In this way\, the calculations can be tailored to converge to saddle points on the electronic energy surface. The methods employed include efficient quasi-Newton algorithms and a robust mode following approach generalized to target saddle points of any order. The new methodologies made it possible to explore energy surfaces close to conical intersections and avoided crossings3\, and to assess the performance of semilocal functionals on charge transfer excitations in organic molecules. We further use the direct optimization methods in multiscale molecular dynamics simulations of the photochemical dynamics of solvated molecules to aid the interpretation of time-resolved X-ray scattering experiments performed at large scale synchrotron and X-ray free electron laser facilities. As an example\, the talk will show how the simulations made it possible to elucidate the rearrangement of the solvent following photoexcitation of a copper photosensitizer and how it influences the ligand dynamics and photosensitizing properties of the complex4. \n[1] A. V. Ivanov\, G. Levi\, E.  Ö. Jónsson\, and H. Jónsson\, J. Chem. Theory and Comput. 17\, 5034 (2021).\n[2] G. Levi\, A. V. Ivanov\, and H. Jónsson\, J. Chem. Theory Comput. 16\, 6968 (2020).\n[3] Y. L. A. Schmerwitz\, A. V. Ivanov\, E. Ö. Jónsson\, H. Jónsson\, and G. Levi\, J. Chem. Theory and\nComput. 13\, 3990 (2022).\n[4] G. Levi\, E. Biasin\, A. O. Dohn\, and H. Jónsson\, Phys. Chem. Chem. Phys. 22\, 748 (2020). \n 
URL:https://fermi.univ-tlse3.fr/event/new-strategies-for-density-functional-calculations-of-excited-states-and-application-to-ultrafast-photoreactions-in-solution-gianluca-levi-lcpq-seminar-12-01-2023-14-h/
CATEGORIES:Events,LCPQ,Seminars
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BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20230113T110000
DTEND;TZID=Europe/Paris:20230113T123000
DTSTAMP:20260423T235814
CREATED:20230107T075340Z
LAST-MODIFIED:20230109T075402Z
UID:8755-1673607600-1673613000@fermi.univ-tlse3.fr
SUMMARY:Non equilibrium physics with quantum fluids of light (Quentin Glorieux /  LCAR / Seminar). - 13/01/23\, 11H
DESCRIPTION:Quentin Glorieux (Laboratoire Kastler Brossel (LKB)\, Ecole Normal Supérieur – Sorbonne Université – CNRS\, Paris\, France) \nSéminaire\, vendredi 13 janvier 2023 11H. – Salle de séminaire\, 3R1\, 3ème étage \nRésumé :\nHot atomic vapors are widely used in non-linear and quantum optics due to their large Kerr non-linearity. This non-linearity induces effective photon-photon interactions allowing light to behave as a fluid displaying quantum properties such as superfluidity. In this presentation\, I will show that we have full control over the Hamiltonian that drives the system and that we can engineer an analogue simulator with light. In particular\, I will discuss 2 experiments:\n1– Observation of a pre-thermal state in a 2D quantum fluid and the analogy with non-equilibrium BKT physics\n2– Emergence of isotropy and inverse energy cascade in a 2D turbulent fluid light
URL:https://fermi.univ-tlse3.fr/event/non-equilibrium-physics-with-quantum-fluids-of-light-quentin-glorieux-lcar-seminar-13-01-23-11h/
LOCATION:salle de séminaire 3ème étage\, Bâtiment 3r1 Université Toulouse III\, Toulouse\, 31400\, France
CATEGORIES:Events,LCAR,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20230124T140000
DTEND;TZID=Europe/Paris:20230124T153000
DTSTAMP:20260423T235814
CREATED:20230123T070038Z
LAST-MODIFIED:20230123T093722Z
UID:8680-1674568800-1674574200@fermi.univ-tlse3.fr
SUMMARY:Suppression of Heating due to Emergence of Local Conservation Laws in Clean Interacting Floquet Quantum Matter (Asmi Haldar / Seminar / LPT). - 24/01/2023
DESCRIPTION:Asmi Haldar (MPIPKS\, Dresden) \nSeminar LPT\, Tuesday January 24\, 2023 – 14:00 – Seminar room\, 3R1 – 3rd floor \n  \nAbstract: We consider a clean quantum system subject to strong periodic driving. The existence of a dominant energy scale\, hxD\, can generate considerable structure in an effective description of a system that\, in the absence of the drive\, is nonintegrable and interacting\, and does not host localization. In particular\, we uncover a threshold of drive strength beyond which the system transits sharply from a quantum chaotic to a dynamically frozen regime. We identify special points of freezing in the space of drive parameters (frequency and amplitude). At those points\, the dynamics is severely constrained due to the emergence of an almost exact\, local conserved quantity\, which scars the entire Floquet spectrum by preventing the system from heating up ergodically\, starting from any generic state\, even though it delocalizes over an appropriate subspace. At large drive frequencies\, where a naïve Magnus expansion would predict a vanishing effective (average) drive\, we devise instead a strong-drive Magnus expansion in a moving frame. There\, the emergent conservation law is reflected in the appearance of the « integrability » of an effective Hamiltonian. These results hold for a wide variety of Hamiltonians\, including the Ising model in a transverse field in any dimension and for any form of Ising interaction. The phenomenon is also shown to be robust in the presence of two-body Heisenberg interactions with any arbitrary choice of couplings. Furthermore\, we construct a real-time perturbation theory that captures resonance phenomena where the conservation breaks down\, giving way to unbounded heating. This approach opens a window on the low-frequency regime where the Magnus expansion fails. Finally\, using iTEBD we demonstrate the persistence of the threshold\, and the conservation law beyond it in infinite systems.
URL:https://fermi.univ-tlse3.fr/event/tba-asmi-haldar-seminar-lpt-24-01-2023/
LOCATION:salle de séminaire 3ème étage\, Bâtiment 3r1 Université Toulouse III\, Toulouse\, 31400\, France
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20230127T113000
DTEND;TZID=Europe/Paris:20230127T130000
DTSTAMP:20260423T235814
CREATED:20230125T134847Z
LAST-MODIFIED:20230125T134847Z
UID:8806-1674819000-1674824400@fermi.univ-tlse3.fr
SUMMARY:Nanomagnétisme au cœur du vivant\, un outil pour les thérapies cellulaires et l'ingénierie tissulaire (Claire Wilhelm / Seminar/ SFP). - 27/01/2023\, 11H30
DESCRIPTION:Claire Wilhelm (Laboratoire de Physico-Chimie Institut Curie\, Sorbonne Université\, PSL University\, Paris) \nLieu : Salle de séminaire\, 3ème étage du bâtiment 3R1 – B4 \nRésumé : \nLa plupart des organismes vivants sont insensibles aux champs magnétiques. Cependant\, certains animaux et surtout bactéries possèdent un système de navigation magnétique\, grâce des cristaux de magnétite qui agiraient comme des boussoles internes. Si l’on trouve également quelques cristaux magnétiques dans le cerveau humain\, un sens magnétique chez l’homme reste encore à démontrer. En revanche\, il est possible d’introduire artificiellement ces cristaux magnétiques au sein du vivant afin de pouvoir le manipuler. Une telle approche a ouvert la voie à des nombreuses applications dans le domaine biomédical\, exploitant les propriétés magnétiques d’aimantation\, d’attraction ou encore d’excitation par un champ magnétique. \nCes propriétés inédites pour le vivant permettent d’imaginer toutes sortes de manipulations à distance pour sonder ou imager les cellules\, exercer une action thérapeutique\, ou façonner des tissus par exemple. Dans cette utilisation de nano-outils magnétiques pour le domaine biomédical\, le point de vue fondamental reste central : manipuler la matière vivante par des effets purement physiques peut mener à une nouvelle compréhension des phénomènes dynamiques du vivant. Les applications sont multiples pour la médecine de demain : pour le diagnostic (nanocapteurs\, nanotraceurs pour l’imagerie médicale)\, pour la thérapie (ciblage magnétique d’agents thérapeutiques\, hyperthermie intracellulaire) et pour la réparation tissulaire (prothèses magnétiques\, ingénierie tissulaire …). Néanmoins\, la question de la toxicité potentielle des nanoparticules au cœur des cellules et de leur devenir sur le long-terme reste une question sociétale centrale. Grâce à la physique et à des approches de nano-magnétisme en milieu vivant\, il est possible de décortiquer le cycle de vie des nanoparticules dans l’environnement biologique\, afin de connaitre\, au mieux\, leur devenir et les possibles effets que ces nanomatériaux produisent. \nVoir ici  \n\n 
URL:https://fermi.univ-tlse3.fr/event/nanomagnetisme-au-coeur-du-vivant-un-outil-pour-les-therapies-cellulaires-et-lingenierie-tissulaire-claire-wilhelm-seminar-sfp-27-01-2023-11h30/
LOCATION:salle de séminaire 3ème étage\, Bâtiment 3r1 Université Toulouse III\, Toulouse\, 31400\, France
CATEGORIES:Events,Seminars,SFP / SFC
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