• I am a reseacher (CNRS from February 2020) at the Laboratoire de Mathématiques de Besançon (Université Bourgogne Franche-Comté).

  • Research interests

    • Numerical analysis
    • Partial differential equations, in particular nonlinear eigenvalue problems
    • Error certification - A posteriori error estimates
    • Quantum chemistry - Density Functional Theory (DFT)
    • Molecular simulation - Force fields (interatomic potentials)

    Publications

    Submitted

    • Cas van der Oord, Geneviève Dusson, Gábor Csányi, and Christoph Ortner. Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials.
    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters. preprint.
    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators. preprint.
    • Geneviève Dusson, Post-processing of the planewave approximation of Schrödinger equations. Part II: Kohn-Sham models. preprint.

    Published

    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework, Numerische Mathematik, 140(4), 1033–1079 (2018). preprint, article.
    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: conforming approximations, SIAM Journal on Numerical Analysis, 55 (2017), pp. 2228–2254. preprint, article.
    • Eric Cancès, Geneviève Dusson, Discretization error cancellation in electronic structure calculation: toward a quantitative study, ESAIM: Mathematical Modelling and Numerical Analysis, 51 (2017), pp. 1617–1636. preprint, article.
    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, A perturbation-method-based post-processing for the planewave discretization of Kohn--Sham models, Journal of Computational Physics 307 (2016) 446–459. preprint, article.
    • Geneviève Dusson, Yvon Maday, A Posteriori Analysis of a Non-Linear Gross--Pitaevskii type Eigenvalue Problem, IMA Journal of Numerical Analysis (2016), drw001. preliminary version, article.
    • Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík, A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations Comptes Rendus Mathematique, 352 (2014), pp. 941–946. preprint, article.

    Other

    • Clémentine Courtès, Geneviève Dusson, Roméo Hatchi, Roberto Molina, Albert Thomas, Compressed sensing pour l’imagerie radar, Semaine d'Etude Maths Entreprises, Paris, 12-16 janvier 2015, report.

    PhD thesis

    • Geneviève Dusson, Error estimation for linear and nonlinear eigenvalue problems arising from electronic structure calculation, thesis.

Videos

    Five tutorials on a mathematical introducion to quantum chemistry, the Hartree-Fock model, its discretization and post-Hartree-Fock methods, on youtube.

Address
Office 411
Laboratoire de Mathématiques
Université de Franche-Comté
16 route de Gray
25030 Besançon CEDEX
France
Contact
genevieve.dusson ( at ) math.cnrs.fr