| Publication | Date of Publication | Type |
|---|
Computing resonances of perturbed Schrödinger equations: Application to Reissner-Norsdtröm-de Sitter black holes
(available as arXiv preprint) | 2026-06-17 | Paper |
Nonlinear reduced basis using mixture Wasserstein barycenters: application to an eigenvalue problem inspired from quantum chemistry
Constructive Approximation | 2026-06-16 | Paper |
A Wasserstein-type metric for generic mixture models, including location-scatter and group invariant measures
European Series in Applied and Industrial Mathematics (ESAIM): Control, Optimization and Calculus of Variations | 2026-03-16 | Paper |
Marginal-constrained modified Wasserstein barycenters for Gaussian distributions and Gaussian mixtures
SIAM Journal on Matrix Analysis and Applications | 2026-02-03 | Paper |
A posteriori error estimates for Schrödinger operators discretized with linear combinations of atomic orbitals
SIAM Journal on Numerical Analysis | 2026-01-08 | Paper |
Efficient generation and explicit dimensionality of Lie group-equivariant and permutation-invariant bases
(available as arXiv preprint) | 2026-01-01 | Paper |
An algorithm for dynamical quantum optimal transport with applications to quantum chemistry
(available as arXiv preprint) | 2026-01-01 | Paper |
Comparison between tensor methods and neural networks in electronic structure calculations
European Series in Applied and Industrial Mathematics (ESAIM): Proceedings and Surveys | 2025-12-12 | Paper |
Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals
SIAM Journal on Scientific Computing | 2025-10-15 | Paper |
A multipoint perturbation formula for eigenvalue problems
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2025-09-05 | Paper |
Nonlinear reduced basis using mixture Wasserstein barycenters: application to an eigenvalue problem inspired from quantum chemistry
(available as arXiv preprint) | 2025-01-01 | Paper |
Reduced basis method for non-symmetric eigenvalue problems: application to the multigroup neutron diffusion equations
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2024-12-12 | Paper |
On basis set optimisation in quantum chemistry
ESAIM: Proceedings and Surveys | 2024-04-10 | Paper |
Polynomial approximation of symmetric functions
Mathematics of Computation | 2024-01-02 | Paper |
Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals
(available as arXiv preprint) | 2024-01-01 | Paper |
A posteriori error estimates for Schrödinger operators discretized with linear combinations of atomic orbitals
(available as arXiv preprint) | 2024-01-01 | Paper |
An overview of \textit{a posteriori} error estimation and post-processing methods for nonlinear eigenvalue problems
Journal of Computational Physics | 2023-11-27 | Paper |
| An Application of Reduced Basis Methods to Core Computation in APOLLO3 | 2023-11-23 | Paper |
| Nonlinear reduced basis using mixture Wasserstein barycenters: application to an eigenvalue problem inspired from quantum chemistry | 2023-07-28 | Paper |
| Reduced basis method for non-symmetric eigenvalue problems: application to the multigroup neutron diffusion equations | 2023-07-12 | Paper |
| A multipoint perturbation formula for eigenvalue problems | 2023-05-14 | Paper |
| A Wasserstein-type metric for generic mixture models, including location-scatter and group invariant measures | 2023-01-19 | Paper |
An Application of Reduced Basis Methods to Core Computation in APOLLO3
(available as arXiv preprint) | 2023-01-01 | Paper |
Practical error bounds for properties in plane-wave electronic structure calculations
SIAM Journal on Scientific Computing | 2022-10-21 | Paper |
Analysis of the Feshbach-Schur method for the Fourier spectral discretizations of Schrödinger operators
Mathematics of Computation | 2022-10-18 | Paper |
An adaptive planewave method for electronic structure calculations
Multiscale Modeling & Simulation | 2022-06-13 | Paper |
Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators
IMA Journal of Numerical Analysis | 2022-05-17 | Paper |
Post-processing of the plane-wave approximation of Schrödinger equations. Part II: Kohn–Sham models
IMA Journal of Numerical Analysis | 2022-05-17 | Paper |
Atomic cluster expansion: completeness, efficiency and stability
Journal of Computational Physics | 2022-05-05 | Paper |
The Feshbach-Schur map and perturbation theory
(available as arXiv preprint) | 2021-12-03 | Paper |
The Feshbach-Schur map and perturbation theory
(available as arXiv preprint) | 2021-05-05 | Paper |
Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters
Mathematics of Computation | 2020-08-27 | Paper |
Atomic Cluster Expansion: Completeness, Efficiency and Stability
(available as arXiv preprint) | 2019-11-08 | Paper |
Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework
Numerische Mathematik | 2018-10-31 | Paper |
\textit{A posteriori} analysis of a nonlinear Gross-Pitaevskii-type eigenvalue problem
IMA Journal of Numerical Analysis | 2018-09-26 | Paper |
Discretization error cancellation in electronic structure calculation: toward a quantitative study
ESAIM: Mathematical Modelling and Numerical Analysis | 2018-01-10 | Paper |
Discretization error cancellation in electronic structure calculation: toward a quantitative study
ESAIM: Mathematical Modelling and Numerical Analysis | 2018-01-10 | Paper |
Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: conforming approximations
SIAM Journal on Numerical Analysis | 2017-09-25 | Paper |
A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models
Journal of Computational Physics | 2016-12-20 | Paper |
A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations
Comptes Rendus. Mathématique. Académie des Sciences, Paris | 2014-11-11 | Paper |
