| Atomic cluster expansion: Completeness, efficiency and stability G Dusson, M Bachmayr, G Csányi, R Drautz, S Etter, C van Der Oord, ... Journal of Computational Physics 454, 110946, 2022 | 137 | 2022 |
| Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials C van Der Oord, G Dusson, G Csányi, C Ortner Machine Learning: Science and Technology 1 (1), 015004, 2020 | 83 | 2020 |
| Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: conforming approximations E Cancès, G Dusson, Y Maday, B Stamm, M Vohralík SIAM Journal on Numerical Analysis 55 (5), 2228-2254, 2017 | 59 | 2017 |
| Atomic permutationally invariant polynomials for fitting molecular force fields AEA Allen, G Dusson, C Ortner, G Csányi Machine Learning: Science and Technology 2 (2), 025017, 2021 | 47 | 2021 |
| Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models L Zhang, B Onat, G Dusson, A McSloy, G Anand, RJ Maurer, C Ortner, ... Npj Computational Materials 8 (1), 158, 2022 | 40 | 2022 |
| Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework E Cancès, G Dusson, Y Maday, B Stamm, M Vohralík Numerische Mathematik 140 (4), 1033-1079, 2018 | 36 | 2018 |
| Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters E Cancès, G Dusson, Y Maday, B Stamm, M Vohralík Mathematics of Computation 89 (326), 2563-2611, 2020 | 27 | 2020 |
| A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations É Cancès, G Dusson, Y Maday, B Stamm, M Vohralík Comptes Rendus. Mathématique 352 (11), 941-946, 2014 | 27 | 2014 |
| A posteriori analysis of a nonlinear Gross–Pitaevskii-type eigenvalue problem G Dusson, Y Maday IMA Journal of Numerical Analysis 37 (1), 94-137, 2017 | 23 | 2017 |
| Grassmann extrapolation of density matrices for Born–Oppenheimer molecular dynamics E Polack, G Dusson, B Stamm, F Lipparini Journal of Chemical Theory and Computation 17 (11), 6965-6973, 2021 | 22 | 2021 |
| A perturbation-method-based post-processing for the planewave discretization of Kohn–Sham models E Cancès, G Dusson, Y Maday, B Stamm, M Vohralík Journal of Computational Physics 307, 446-459, 2016 | 18 | 2016 |
| Discretization error cancellation in electronic structure calculation: toward a quantitative study E Cancès, G Dusson ESAIM: Mathematical Modelling and Numerical Analysis 51 (5), 1617-1636, 2017 | 17 | 2017 |
| Polynomial approximation of symmetric functions M Bachmayr, G Dusson, C Ortner, J Thomas Mathematics of Computation 93 (346), 811-839, 2024 | 16 | 2024 |
| An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries É Polack, A Mikhalev, G Dusson, B Stamm, F Lipparini Molecular Physics 118 (19-20), e1779834, 2020 | 14 | 2020 |
| Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators E Cancès, G Dusson, Y Maday, B Stamm, M Vohralík IMA Journal of Numerical Analysis 41 (4), 2423-2455, 2021 | 10 | 2021 |
| Post-processing of the plane-wave approximation of Schrödinger equations. Part II: Kohn–Sham models G Dusson IMA Journal of Numerical Analysis 41 (4), 2456-2487, 2021 | 8 | 2021 |
| A posteriori analysis of a non-linear Gross-Pitaevskii type eigenvalue problem G Dusson, Y Maday | 6 | 2013 |
| A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics F Pes, É Polack, P Mazzeo, G Dusson, B Stamm, F Lipparini The Journal of Physical Chemistry Letters 14 (43), 9720-9726, 2023 | 5 | 2023 |
| Nonlinear reduced basis using mixture Wasserstein barycenters: application to an eigenvalue problem inspired from quantum chemistry M Dalery, G Dusson, V Ehrlacher, A Lozinski arXiv preprint arXiv:2307.15423, 2023 | 4 | 2023 |
| An overview of a posteriori error estimation and post-processing methods for nonlinear eigenvalue problems G Dusson, Y Maday Journal of Computational Physics, 112352, 2023 | 4 | 2023 |
