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BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260407T140000
DTEND;TZID=Europe/Paris:20260407T150000
DTSTAMP:20260405T041922
CREATED:20260329T075454Z
LAST-MODIFIED:20260330T075644Z
UID:11803-1775570400-1775574000@fermi.univ-tlse3.fr
SUMMARY:TBA. - (Gilles Parez / LPT / Seminar). -7/04/2026\, 14H
DESCRIPTION:Séminaire LPT \nGilles Parez (LAPTh) \nSeminar LPT\, 7/04/2026\, 14H\, 3R4\, salle de conférence
URL:https://fermi.univ-tlse3.fr/event/tba-gilles-parez-lpt-seminar-17-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260408T140000
DTEND;TZID=Europe/Paris:20260408T170000
DTSTAMP:20260405T041922
CREATED:20260328T084334Z
LAST-MODIFIED:20260330T124424Z
UID:12081-1775656800-1775667600@fermi.univ-tlse3.fr
SUMMARY:Le Contrôle quantique appliqué à l'information de Fisher : réalisation de mesures quantiques optimales en temps fini. - (Nicolas Ombredane / LCAR / Thèse). - 8/04/2026\, 14H
DESCRIPTION:Soutenance de thèse \nNicolas Ombredane\, LCAR\, Salle de conférence\, Bat. 3R4 \n\n \n \n 
URL:https://fermi.univ-tlse3.fr/event/le-controle-quantique-applique-a-linformation-de-fisher-realisation-de-mesures-quantiques-optimales-en-temps-fini-nicolas-ombredane-lcar-these-8-04-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,HDR / Thesis,LCAR
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260416T140000
DTEND;TZID=Europe/Paris:20260416T153000
DTSTAMP:20260405T041922
CREATED:20260327T092808Z
LAST-MODIFIED:20260330T075700Z
UID:11988-1776348000-1776353400@fermi.univ-tlse3.fr
SUMMARY:TS-Free Prediction of Activation Strain Components of Diels–Alder Reactions with Graph Neural Networks. - ( Daiann Sosa Carrizo / LPCNO / Seminar). - 16/04/2026\, 14H
DESCRIPTION:Séminaire du LCPQ \nDaiann Sosa Carrizo\, LPCNO \nSeminar LCPQ\, 16/04/2026\, 14H \nSummary :\nMachine learning is transforming computational chemistry. From predicting molecular properties — solubility\, spectroscopic\, and drug-likeness — to guiding retrosynthetic planning and catalyst design\, ML models have progressively replaced expensive quantum-chemical calculations with fast\, learned approximations. Yet some class of properties has remained largely out of reach: those that encode transition-state geometry.[1]\nThe Activation Strain Model (ASM) decomposes activation barriers into fragment deformation energies (ΔE‡_strain) and interfragment interaction energy (ΔE‡_int)\, explaining why a reaction is fast or slow rather than merely predicting trends. Computing these quantities requires explicit DFT transition-state optimisation — costly and incompatible with high-throughput screening.[2-3]\nIn this seminar\, I will discuss the application of the directed message-passing neural network (Dual D-MPNN) to predict ASM components from reactant SMILES\, without TS optimisation or hand-crafted descriptors. The model was trained on 802 endo Diels–Alder reactions computed at the M06-2X/6-311+G(d\,p) level of theory.[4] \nError analysis reveals a chemically interpretable result: diene conformational rigidity\, not electronic complexity\, is the primary determinant of model accuracy. Rigid heteroaromatic dienes such as furans are predicted near chemical accuracy\, while flexible hetero-acyclic dienes bearing conjugated carbonyl groups remain the principal failure mode. This is not an architectural limitation — it reflects a fundamental constraint of 2D molecular graphs\, which cannot encode the conformational ambiguity that determines TS geometry in flexible systems. \nAs a prospective application\, this model will be used to screen virtual diene libraries and identify reactive candidates for Diels–Alder reactions targeting terpenoid and alkaloid natural products. In these systems\, the ASM decomposition provides design principles — distinguishing strain-controlled from interaction-controlled reactivity — that barrier heights alone cannot offer. \n\n[1]. Chen\, X. et al. Nat. Synth. 2025\, 4\, 877–887.\n[2] Bickelhaupt\, F. M. et al. Angew. Chem. Int. Ed. 2017\, 56\, 10070–10086\n[3] Brunard\, E. et al. J. Am. Chem. Soc. 2024\, 146\, 5843–5854.\n[4] Vargas\, S. et al. J. Chem. Theory Comput. 2021\, 17\, 6098–6110.
URL:https://fermi.univ-tlse3.fr/event/ts-free-prediction-of-activation-strain-components-of-diels-alder-reactions-with-graph-neural-networks-daiann-sosa-carrizo-lpcno-seminar-2-02-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LCPQ,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260505T140000
DTEND;TZID=Europe/Paris:20260505T153000
DTSTAMP:20260405T041922
CREATED:20260326T085434Z
LAST-MODIFIED:20260330T075706Z
UID:12085-1777989600-1777995000@fermi.univ-tlse3.fr
SUMMARY:TBA. - (Christian D Santangelo / LPT / Seminar). -5/05/2026\, 14H
DESCRIPTION:Séminaire LPT \nChristian D Santangelo (Université de Syracuse) \nSeminar LPT\, 5/05/2026\, 14H\, 3R4\, salle de conférence
URL:https://fermi.univ-tlse3.fr/event/tba-christian-d-santangelo-lpt-seminar-5-05-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260507T110000
DTEND;TZID=Europe/Paris:20260507T123000
DTSTAMP:20260405T041922
CREATED:20260325T084751Z
LAST-MODIFIED:20260330T075715Z
UID:12083-1778151600-1778157000@fermi.univ-tlse3.fr
SUMMARY:Existing experiments suffice to indirectly verify the quantum essence of gravity. - ( Martin Plavala/ LCAR / Seminar). - 7/05/2026\, 11H
DESCRIPTION:Séminaire LCAR \nMartin Plavala\,  Institut für Theoretische Physik\, Leibniz Universität Hannover\, Hannover\, Germany \nSummary\nThe gravity-mediated entanglement experiments employ concepts from quantum information to argue that if entanglement due to gravitational interaction is observed\, then gravity cannot be described by a classical system. However\, the proposed experiments remain beyond out current technological capability\, with optimistic projections placing the experiment outside of short-term future. Here we argue that current matter-wave interferometers are sufficient to indirectly prove that gravitational interaction creates entanglement between two systems. Specifically\, we prove that if we experimentally verify the Schrödinger equation for a single delocalized system interacting gravitationally with an external mass\, then\, under one of two reasonable assumptions\, the time evolution of two delocalized systems will lead to gravity-mediated entanglement.
URL:https://fermi.univ-tlse3.fr/event/existing-experiments-suffice-to-indirectly-verify-the-quantum-essence-of-gravity-martin-plavala-lcar-seminar-7-05-2026-11h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LCAR,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260512T140000
DTEND;TZID=Europe/Paris:20260512T150000
DTSTAMP:20260405T041922
CREATED:20260324T093744Z
LAST-MODIFIED:20260330T075725Z
UID:11992-1778594400-1778598000@fermi.univ-tlse3.fr
SUMMARY:Dynamique quantique de la chiralité d’une paroi de domaine magnétique mésoscopique. - (Oleksiy Kolezhuk / LPT / Seminar). - 12/05/2026\, 14H
DESCRIPTION:Séminaire LPT \nOleksiy Kolezhuk\, (Institut du Magnétisme\, ANS\, Ukraine) \nSeminar LPT\, 12/05/2026\, 14H\, 3R4\, salle de conférence \nSummary\nWe study the quantum dynamics of the internal chirality degree of freedom of a mesoscopic domain wall pinned inside a quasi-one-dimensional fixture. It is shown that weak spin-polarized current excites Bloch oscillations of the domain wall angular rotation velocity\, with the oscillation frequency proportional to the current\, modulated by a much higher magnon-range frequency. In addition to that\, the Wannier-Stark localization effects enable controlled switching between different chiral states\, suppressing inertial effects characteristic for the classical regime. \nThe current density required for the chirality manipulation can be significantly lower compared to the classical regime. We also show that for recently discovered novel class of magnetic materials — altermagnets — chirality switching can be driven by the usual (non-spin-polarized)\ncurrent. \n[1] O. Kolezhuk\, R. Teslia\, I. Buryak\, and O. Gomonay\, Phys. Rev. B 109\, 134418 (2024)
URL:https://fermi.univ-tlse3.fr/event/dynamique-quantique-de-la-chiralite-dune-paroi-de-domaine-magnetique-mesoscopique-oleksiy-kolezhuk-lpt-seminar-12-05-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Europe/Paris:20260609T140000
DTEND;TZID=Europe/Paris:20260609T153000
DTSTAMP:20260405T041922
CREATED:20260302T093042Z
LAST-MODIFIED:20260330T075734Z
UID:11969-1781013600-1781019000@fermi.univ-tlse3.fr
SUMMARY:TBA. - (Michele Casula / LPT / Seminar). -9/06/2026\, 14H
DESCRIPTION:Séminaire LPT \nMichele Casula (IMPMC) \nSeminar LPT\, 9/06/2026\, 14H\, 3R4\, salle de conférence
URL:https://fermi.univ-tlse3.fr/event/tba-michele-casula-lpt-seminar-9-06-2026-14h/
LOCATION:Salle de conférence\, Bâtiment 3R4
CATEGORIES:Events,LPT,Seminars
END:VEVENT
END:VCALENDAR