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DTSTART;VALUE=DATE:20230418T171500
DTEND;VALUE=DATE:20230418T171500
UID:13385@agenda.unifr.ch
DESCRIPTION:Density Functional Theory (DFT) is the standard approach to\nquantum chemistry in simulations with more than a dozen electrons or\nso. The classical way of breaking the curse of dimensionality in DFT\nis through the Kohn-Sham (KS) formalism, which has been extremely\nsuccessful in predicting properties in materials science, chemistry\nand biochemistry.\n\nDespite its enormous success, KS DFT approximations fail in accurately\npredicting the physics of systems in which electronic correlation\nplays a prominent role (e.g. transition metals, which are the\nworkhorse of catalysis) and dispersion (van der Walls) interactions\n(e.g. hydrogen-bonding interaction in the DNA).\n\nIn this talk, I will tell part of that story by introducing\nmathematical and computational aspects of DFT from a multi-marginal\noptimal transport perspective. Particular emphasis will be given on\nrigorous mathematical results and challenges in the field.\n\nThe talk has few prerequisites and (definitely) no contraindications.\nTherefore, Master and Ph.D. students in physics, theoretical chemistry\nand mathematics are encouraged to attend as well.\n
SUMMARY:An optimal transport viewpoint on Density Functional Theory for Strongly Correlated systems 
CATEGORIES:Colloque / Congrès / Forum
LOCATION:PER 08\, auditoire 2.52\, Chemin du Musée 3\, 1700 Fribourg
URL;VALUE=URI:https://agenda.unifr.ch/e/fr/13385
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