| Publication | Date of Publication | Type |
|---|
A priori error analysis of linear and nonlinear periodic Schrödinger equations with analytic potentials
Journal of Scientific Computing | 2024-01-16 | Paper |
| Some mathematical insights on Density Matrix Embedding Theory | 2023-05-25 | Paper |
| A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry | 2023-05-11 | Paper |
Numerical stability and efficiency of response property calculations in density functional theory
Letters in Mathematical Physics | 2023-03-09 | Paper |
Efficient extraction of resonant states in systems with defects
Journal of Computational Physics | 2023-02-10 | Paper |
Finite-size effects in response functions of molecular systems
The SMAI journal of computational mathematics | 2023-01-26 | Paper |
Practical error bounds for properties in plane-wave electronic structure calculations
SIAM Journal on Scientific Computing | 2022-10-21 | Paper |
Numerical stability and efficiency of response property calculations in density functional theory
(available as arXiv preprint) | 2022-10-10 | Paper |
A robust and efficient line search for self-consistent field iterations
Journal of Computational Physics | 2022-05-11 | Paper |
Hypocoercivity with Schur complements
Annales Henri Lebesgue | 2022-05-10 | Paper |
Efficient extraction of resonant states in systems with defects
(available as arXiv preprint) | 2022-03-23 | Paper |
Coherent electronic transport in periodic crystals
Annales Henri Poincaré | 2021-07-29 | Paper |
Convergence analysis of direct minimization and self-consistent iterations
SIAM Journal on Matrix Analysis and Applications | 2021-04-08 | Paper |
Finite-size effects in response functions of molecular systems
(available as arXiv preprint) | 2021-02-19 | Paper |
Screening in the finite-temperature reduced Hartree-Fock model
Archive for Rational Mechanics and Analysis | 2020-08-17 | Paper |
Numerical quadrature in the Brillouin zone for periodic Schrödinger operators
Numerische Mathematik | 2020-03-10 | Paper |
Numerical construction of Wannier functions through homotopy
Journal of Mathematical Physics | 2019-05-28 | Paper |
Localised Wannier functions in metallic systems
Annales Henri Poincaré | 2019-03-28 | Paper |
Variational formulation for Wannier functions with entangled band structure
Multiscale Modeling & Simulation | 2019-03-11 | Paper |
Numerical quadrature in the Brillouin zone for periodic Schrodinger operators
(available as arXiv preprint) | 2018-05-18 | Paper |
Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods
Journal of Computational Physics | 2018-01-31 | Paper |
Convergence and cycling in Walker-type saddle search algorithms
SIAM Journal on Numerical Analysis | 2017-09-25 | Paper |
| Robust determination of maximally-localized Wannier functions | 2016-05-23 | Paper |
| Convergence of algorithms for Hartree-Fock models in quantum chemistry | 2015-03-16 | Paper |
Solutions of the multiconfiguration Dirac-Fock equations
Reviews in Mathematical Physics | 2014-09-29 | Paper |
Best constants in Lieb-Thirring inequalities: a numerical investigation
Journal of Spectral Theory | 2014-05-21 | Paper |
Convergence of gradient-based algorithms for the Hartree-Fock equations
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2013-07-10 | Paper |
Continuation of discrete breathers from infinity in a nonlinear model for DNA breathing
Applicable Analysis | 2010-08-30 | Paper |
