lundi 21/10 : Peter Schwerdtfeger (Massey University)/Andreas Buchheit (Saarland University)
lundi 04/11 : Philipp Schleich (University of Toronto)
lundi 18/11 : Sara Giarusso (Université Paris-Saclay)
Past Seminars
Mardi 25/06/2024: Dexuan Xie (University of Wisconsin-Milwaukee). Title: Nonlocal Dielectric Continuum Modeling and Finite Element Computing for Protein Electrostatics
Lundi 03/06/2024: David Tew (University of Oxford). Title: Coupled-cluster in solids
Lundi 13/05/2024: Artur Izmaylov (University of Toronto Scarborough). Title: Quantum computing for quantum chemistry
Lundi 25/03/2024: Maen Salman (LKB, Sorbonne Université). Title: QED corrections with Gaussian-based calculations suited for molecular relativistic simulations
Lundi 26/02/2024: Marie Labeye (ENS). Title: Theoretical approach of strong-field light-matter interaction
Lundi 12/02/2024: Luca Nenna (Institut mathématiques d’Orsay, Université Paris-Saclay). Title: Sparse approximation of the Lieb functional: an Optimal Transport point of view
Lundi 29/01/2024: Xue Quan (Beijing Normal University). Title: A Finite Element Configuration Interaction Method for Wigner Localization
Jeudi 16/01/2024: Laura Grazioli (Mainz University). Title: Challenges in the Calculation of Properties in a Magnetic Field using Coupled-Cluster and Unitary Coupled-Cluster Theory
Lundi 04/12/2023: Margaret Blazhynska (LCT, Sorbonne Université). Title: Modeling and Standard Binding Free Energy Calculations of Complex Biological Objects
Lundi 20/11/2023: Salma Lahbabi (ENSEM-UHIIC & UM6P-CC). Title: Stability of matter with self-generated magnetic field
Lundi 23/10/2023: Nicolas Tancogne-Dejean (Max Planck Institute for the Structure and Dynamics of Matter). Title: Ab initio description of high-harmonic generation in solids
Lundi 09/10/2023: Thomas Plé (LCT, Sorbonne Université). Title: Force-Field-enhanced E(3) equivariant neural networks for general, reliable and reactive molecular dynamics simulations
Jeudi 28/09/2023: Muhammad Hassan (LJLL, Sorbonne Université). Title: Band Structure Calculations for Crystalline Materials using an Operator Modification Approach
Vendredi 30/06/2023: Jason Kaye (Flatiron Institute). Title: An automatic, high-order, adaptive algorithm for Brillouin zone integration.
Vendredi 26/05/2023: Alfred Kirsch et Eloïse Letournel (CERMICS, Ecole des Ponts). Title: A mathematical analysis of Density Matrix Embedding Theory.
Vendredi 28/04/2023: Maria Hellgren (IMPMC, Sorbonne Université). Title: Exact-exchange vertex for accurate correlation energies in solids.
Vendredi 14/04/2023: Michael Plum (Karlsruhe Institute of Technology). Title: Computer-assisted proofs for elliptic problems on bounded and unbounded domains.
Vendredi 24/03/2023: Jack Thomas (Laboratoire de Mathématiques d’Orsay). Title: Body-ordered approximations of atomic properties.
Vendredi 10/03/2023: 1) Timothée Audinet (Sorbonne Université). Title: One-dimensional model for relativistic quantum chemistry; 2) Lambert Theisen (Universität Stuttgart). Title: A Two-Level Domain Decomposition Method for Periodic Schrödinger Eigenstates in Anisotropically Expanding Domains.
Vendredi 24/02/2023: Saad Yalouz (Université de Strasbourg). Title: Quantum computing to describe properties of correlated many-body systems: from quantum chemistry to condensed matter physics.
Vendredi 10/02/2023: Clotilde Fermanian-Kammerer (LAMA, Université Paris-Est Créteil Val de Marne). Title: Semiclassical gaussian states and dynamical approximation of quantum systems.
Vendredi 27/01/2023: Emmanuel Fromager (LCQ, Université de Strasbourg). Title: A non-Hermitian approach to the representability issue of density-matrix embedding theory.
Vendredi 13/01/2023: Pier Paolo Poier (LCT, Sorbonne Université). Title: Recent advances in many-body dispersion modeling: scalability and accuracy improvements.
Vendredi 16/12/2022: 1) Guillaume Grente (Université de Strasbourg). Title: N-centered DFT formalism for the study of charged excitations; 2) Siwar Badreddine (Inria Paris). Title: Block structures in the tensor train representation of the quantum chemical Hamiltonian in the presence of symmetries.
Vendredi 02/12/2022: Fabien Gatti (ISMO, Université Paris-Saclay). Title: Introduction to the Multi-Configuration Time-Dependent Hartree (MCTDH) method.
Vendredi 18/11/2022: David Gontier (CEREMADE, Université Paris-Dauphine). Title: Density Functional Theory for two-dimensional homogeneous materials.
Vendredi 17/11/2022: Filippo Lipparini (Université de Pise). Title: Energies, structures, and properties with quadratically convergent CASSCF calculations with the Cholesky decomposition of the two-electron integrals.
Vendredi 28/10/2022: Muhammad Hassan (LJLL, Sorbonne Université). Title: A New Well-Posedness Analysis for the Single-Reference Coupled Cluster Method.
Vendredi 18/10/2022: Susi Lehtola (Université d’Helsinki). Title: Automatic generation of auxiliary basis sets for density fitting.
Vendredi 04/10/2022: Ivan Duchemin (CEA Grenoble). Title: All-electron GW calculations on complex systems.
Vendredi 30/09/2022: Fabian Faulstish (UC Berkeley). Title: On the pure state v-representability of Density Matrix Embedding Theory.
Vendredi 18/02/2022: Matthew Colbrook. Title: ResDMD: Rigorous data-driven computation of spectral properties of Koopman operators for dynamical systems.
Vendredi 04/02/2022: Jessica Bowles. Title: Determination of Vibrational Circular Dichroism spectra of fluxional molecules through classical polarisable molecular dynamics.
Vendredi 21/01/2022: Pascal Pernot. Title: Prediction uncertainty in Computational Chemistry.
Vendredi 15/01/2022: Giuseppe Di Molfetta (Aix-Marseille University). Title: Quantum Walks, limits, and transport equations.
Vendredi 07/01/2022: Antoine Tilloy.
Vendredi 17/12/2021: Sever Hirstoaga. Title: A reduced model-based parareal algorithm for some highly oscillating differential equations.
Vendredi 18/12/2020: Paul Bergold (TU Munich). Title: The Gaussian wave packet transform via quadrature rules and its application for simulations of quantum dynamics.
Lundi 13/12/2021: Luigi Genovese. Title: Impact of open boundaries on the analytic structure of the susceptibility: consequences on the computational treatment of linear response in molecular systems.
Vendredi 10/12/2021: Une soutenance de thèse liée aux thématiques du séminaire. Robert Benda (http://www.theses.fr/s251424).
Vendredi 04/12/2020: Stephan Fritzsche (U Jena). Title: A community platform for just atomic calculations (JAC).
Vendredi 16/10/2020: 1) Gaspard Kemlin (CERMICS). Title: Analysis of SCF and minimization algorithms for electronic structure; 2) Théo Jaffrelot Inizan (LCT). Title: Supercomputer-Driven Unsupervised Adaptive Sampling of SARS-CoV-2 Main Protease and Spike.
Vendredi 01/10/2021: Mi-Song Dupuy (LJLL, Sorbonne Université). Title: Dissociation exacte de H_2 dans le modèle RPA.
Vendredi 03/07/2020: 1) Pierre Monmarché (LJLL & LCT). Title: Velocity jumps: an alternative to multi-time step integrators; 2) Michael Herbst (CERMICS). Title: Insight-driven design of novel SCF preconditioning strategies for mixed systems: A DFTK case study.
Vendredi 13/03/2020: Jeremy Weisman (LCT & LJLL). Title: Acceleration of molecular dynamics methods using velocity jump processes.
Vendredi 28/02/2020: Benjamin Rotenberg (PHENIX). Title: Use the force! Reduced variance estimators for radial distribution functions, generic 3D densities, and (local) transport coefficients.
Jeudi 27/02/2020: Philipp Schleich. Title: How to solve a Linear System using a Quantum Computer.
Vendredi 07/02/2020: Virginie Ehrlacher (CERMICS). Title: Moment-constrained optimal transport problem: application to quantum chemistry.
Vendredi 24/01/2020: Mathieu Lewin (Université Paris Dauphine). Title: A mathematical proof of the LDA in DFT.
Lundi 16/12/2019: Thomas Kühne (Paderborn University). Title: Approximate computing in linear-scaling ab-initio molecular dynamics simulations.
Vendredi 13/12/2019: Journée sur le langage Julia organisée par Michael Herbst.
Mardi 26/11/2019: Yugi Sujita (RIKEN). Title: Development of GENESIS software for biomolecular simulations in cellular environments.
Vendredi 15/11/2019:, Daniele Loco (Sorbonne Université). Title: A “Minimum Image Convention” approach to long-range electrostatic in polarizable Hybrid Quantum/Classical Molecular Dynamics.
Lundi 07/10/2019 au mercredi 09/10/2019: Kick-off meeting of the ERC project EMC2.
Vendredi 30/08/2019: Zsuzsanna Tóth (University of Chemistry and Technology of Prague). Title: Hartree-Fock instability: Finding initial guess for UHF iteration.
Vendredi 14/06/2019: Gabriel Stoltz (CERMICS, ENPC). Title: Hybrid Monte Carlo methods for sampling probability measures on submanifolds.
Vendredi 07/06/2019: Israel Michael Sigal (University of Toronto). Title: On effective equations of quantum physics.
Vendredi 24/05/2019: Jeremy Dalphin (Sorbonne Université). Title: On the Computation of Maximal Probability Domains (MPDs) in Quantum Chemistry.
Vendredi 10/05/2019: Federica Agostini (LCP, Université Paris-Sud). Title: Dynamics of electrons and nuclei in molecules: Beyond the Born-Oppenheimer approximation.
Vendredi 19/04/2019: Éric Cancès (ENPC). Title: Seconde session sur l’informatique quantique.
Vendredi 05/04/2019: Martin Weigt (LCQB, Sorbonne Université). Title: Data-driven models of protein sequence landscapes: inference, 3D structure prediction, and protein design.
Vendredi 22/03/2019: Simon Huppert (INSP, Sorbonne Université). Title: Utilisation du bain thermique quantique pour la simulation des effets quantiques nucléaires.
Vendredi 08/03/2019: David Perahia (ENS Paris-Saclay) et Mauricio Costa (Fondation Oswaldo-Cruz). Title: Exploration étendue des conformations des macromolécules biologiques par excitation cinétique des modes normaux de basse fréquence.
Vendredi 22/02/2019: Éric Cancès (ENPC). Title: An elementary introduction to quantum entanglement and its applications in physics and quantum computer science.
Vendredi 15/02/2019: Jérôme Hénin (IBPC, Sorbonne Université). Title: Collective variable biases: a toolbox for computational experiments in biology.
This website uses cookies to improve your experience. We'll assume you're ok with this, but you can opt-out if you wish. Cookie settingsACCEPT
Privacy & Cookies Policy
Privacy Overview
This website uses cookies to improve your experience while you navigate through the website. Out of these cookies, the cookies that are categorized as necessary are stored on your browser as they are essential for the working of basic functionalities of the website. We also use third-party cookies that help us analyze and understand how you use this website. These cookies will be stored in your browser only with your consent. You also have the option to opt-out of these cookies. But opting out of some of these cookies may have an effect on your browsing experience.
Necessary cookies are absolutely essential for the website to function properly. This category only includes cookies that ensures basic functionalities and security features of the website. These cookies do not store any personal information.
Any cookies that may not be particularly necessary for the website to function and is used specifically to collect user personal data via analytics, ads, other embedded contents are termed as non-necessary cookies. It is mandatory to procure user consent prior to running these cookies on your website.