Machine learning assisted canonical sampling (Mlacs).

Antoine Levitt

Aloïs Castellano Romuald Béjaud Pauline Richard Olivier Nadeau Clément Duval Grégory Geneste Gabriel Antonius Johann Bouchet Antoine Levitt Gabriel Stoltz François Bottin Machine learning assisted canonical sampling (Mlacs). 109730 2025 316 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2025.109730 db/journals/cphysics/cphysics316.html#CastellanoBRNDGABLSB25 streams/journals/cphysics

Xue Quan Antoine Levitt MatrixFuns.jl: Matrix functions in Julia. 8396 2025 August 10 J. Open Source Softw. 112 https://doi.org/10.21105/joss.08396 db/journals/jossw/jossw10.html#QuanL25 streams/journals/jossw

Eric Cancès Gaspard Kemlin Antoine Levitt A Priori Error Analysis of Linear and Nonlinear Periodic Schrödinger Equations with Analytic Potentials. 25 2024 January 98 J. Sci. Comput. 1 https://doi.org/10.1007/s10915-023-02421-0 db/journals/jscic/jscic98.html#CancesKL24

Ivan Duchemin Luigi Genovese Eloïse Letournel Antoine Levitt Simon Ruget Efficient extraction of resonant states in systems with defects. 111928 2023 March 477 J. Comput. Phys. https://doi.org/10.1016/j.jcp.2023.111928 db/journals/jcphy/jcphy477.html#DucheminGLLR23

Tommaso Nottoli Ivan Giannì Antoine Levitt Filippo Lipparini A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry. 2023 abs/2305.06668 CoRR https://doi.org/10.48550/arXiv.2305.06668 db/journals/corr/corr2305.html#abs-2305-06668

Michael F. Herbst Antoine Levitt A robust and efficient line search for self-consistent field iterations. 111127 2022 459 J. Comput. Phys. https://doi.org/10.1016/j.jcp.2022.111127 db/journals/jcphy/jcphy459.html#HerbstL22

Eric Cancès Geneviève Dusson Gaspard Kemlin Antoine Levitt Practical Error Bounds for Properties in Plane-Wave Electronic Structure Calculations. 1312- 2022 October 44 SIAM J. Sci. Comput. 5 https://doi.org/10.1137/21m1456224 db/journals/siamsc/siamsc44.html#CancesDKL22

Ivan Duchemin Luigi Genovese Eloïse Letournel Antoine Levitt Simon Ruget Efficient extraction of resonant states in systems with defects. 2022 abs/2204.07063 CoRR https://doi.org/10.48550/arXiv.2204.07063 db/journals/corr/corr2204.html#abs-2204-07063

Eric Cancès Gaspard Kemlin Antoine Levitt A priori error analysis of linear and nonlinear periodic Schr{ö}dinger equations with analytic potentials. 2022 abs/2206.04954 CoRR https://doi.org/10.48550/arXiv.2206.04954 db/journals/corr/corr2206.html#abs-2206-04954

Eric Cancès Michael F. Herbst Gaspard Kemlin Antoine Levitt Benjamin Stamm Numerical stability and efficiency of response property calculations in density functional theory. 2022 abs/2210.04512 CoRR https://doi.org/10.48550/arXiv.2210.04512 db/journals/corr/corr2210.html#abs-2210-04512

Eric Cancès Gaspard Kemlin Antoine Levitt Convergence Analysis of Direct Minimization and Self-Consistent Iterations. 243-274 2021 42 SIAM J. Matrix Anal. Appl. 1 https://doi.org/10.1137/20M1332864 db/journals/siammax/siammax42.html#CancesKL21

Mi-Song Dupuy Antoine Levitt Finite-size effects in response functions of molecular systems. 2021 abs/2102.09841 CoRR https://arxiv.org/abs/2102.09841 db/journals/corr/corr2102.html#abs-2102-09841

Eric Cancès Geneviève Dusson Gaspard Kemlin Antoine Levitt Practical error bounds for properties in plane-wave electronic structure calculations. 2021 abs/2111.01470 CoRR https://arxiv.org/abs/2111.01470 db/journals/corr/corr2111.html#abs-2111-01470

Eric Cancès Virginie Ehrlacher David Gontier Antoine Levitt Damiano Lombardi Numerical quadrature in the Brillouin zone for periodic Schrödinger operators. 479-526 2020 144 Numerische Mathematik 3 https://doi.org/10.1007/s00211-019-01096-w https://www.wikidata.org/entity/Q126397716 db/journals/nm/nm144.html#CancesEGLL20

Eric Cancès Gaspard Kemlin Antoine Levitt Convergence analysis of direct minimization and self-consistent iterations. 2020 abs/2004.09088 CoRR https://arxiv.org/abs/2004.09088 db/journals/corr/corr2004.html#abs-2004-09088

Michael F. Herbst Antoine Levitt Eric Cancès A posteriori error estimation for the non-self-consistent Kohn-Sham equations. 2020 abs/2004.13549 CoRR https://arxiv.org/abs/2004.13549 db/journals/corr/corr2004.html#abs-2004-13549

Michael F. Herbst Antoine Levitt Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory. 2020 abs/2009.01665 CoRR https://arxiv.org/abs/2009.01665 db/journals/corr/corr2009.html#abs-2009-01665

Anil Damle Antoine Levitt Lin Lin 0001 Variational Formulation for Wannier Functions with Entangled Band Structure. 167-191 2019 17 Multiscale Model. Simul. 1 https://doi.org/10.1137/18M1167164 https://www.wikidata.org/entity/Q128454112 db/journals/mmas/mmas17.html#DamleLL19

Xavier Antoine Antoine Levitt Qinglin Tang Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods. 92-109 2017 343 J. Comput. Phys. https://doi.org/10.1016/j.jcp.2017.04.040 db/journals/jcphy/jcphy343.html#AntoineLT17

Antoine Levitt Christoph Ortner Convergence and Cycling in Walker-type Saddle Search Algorithms. 2204-2227 2017 55 SIAM J. Numer. Anal. 5 https://doi.org/10.1137/16M1087199 db/journals/siamnum/siamnum55.html#LevittO17

Xavier Gonze François Jollet Flavio Abreu Araujo Donat Adams Bernard Amadon Thomas Applencourt Christophe Audouze Jean-Michel Beuken Jordan Bieder A. Bokhanchuk Eric Bousquet Fabien Bruneval Damien Caliste Michel Côté Florent Dahm Fabiana Da Pieve Muriel Delaveau Marco Di Gennaro 0002 Boris Dorado Camilo Espejo Grégory Geneste Luigi Genovese Alexis Gerossier Matteo Giantomassi Yannick Gillet Don R. Hamann Lianhua He Gerald Jomard Jonathan Laflamme Janssen Stéphane Le Roux 0002 Antoine Levitt Aurelien Lherbier Fang Liu Igor Lukacevic Alexandre Martin Cyril Martins Micael J. T. Oliveira Samuel Poncé Yann Pouillon Tonatiuh Rangel Gian-Marco Rignanese Aldo H. Romero B. Rousseau Oleg Rubel Abdullah A. Shukri Martin Stankovski Marc Torrent 0001 Michiel J. van Setten B. Van Troeye Matthieu J. Verstraete David Waroquiers Julia Wiktor Bin Xu 0011 Aihui Zhou Joe W. Zwanziger Recent developments in the ABINIT software package. 106-131 2016 205 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2016.04.003 https://www.wikidata.org/entity/Q56866570 db/journals/cphysics/cphysics205.html#GonzeJAAAAABBBB16

Antoine Levitt Marc Torrent 0001 Parallel eigensolvers in plane-wave Density Functional Theory. 98-105 2015 187 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2014.10.015 db/journals/cphysics/cphysics187.html#LevittT15

Donat Adams Bernard Amadon Xavier Antoine Gabriel Antonius Thomas Applencourt Flavio Abreu Araujo Christophe Audouze Romuald Béjaud Jean-Michel Beuken Jordan Bieder A. Bokhanchuk François Bottin Johann Bouchet Eric Bousquet Fabien Bruneval Damien Caliste Eric Cancès Aloïs Castellano Michel Côté Florent Dahm Anil Damle Muriel Delaveau Boris Dorado Ivan Duchemin Mi-Song Dupuy Geneviève Dusson Clément Duval Virginie Ehrlacher Camilo Espejo Grégory Geneste Marco Di Gennaro 0002 Luigi Genovese Alexis Gerossier Ivan Giannì Matteo Giantomassi Yannick Gillet David Gontier Xavier Gonze Don R. Hamann Lianhua He Michael F. Herbst Jonathan Laflamme Janssen François Jollet Gerald Jomard Gaspard Kemlin Eloïse Letournel Aurelien Lherbier Lin Lin 0001 Filippo Lipparini Fang Liu Damiano Lombardi Igor Lukacevic Alexandre Martin Cyril Martins Olivier Nadeau Tommaso Nottoli Micael J. T. Oliveira Christoph Ortner Fabiana Da Pieve Samuel Poncé Yann Pouillon Xue Quan Tonatiuh Rangel Pauline Richard Gian-Marco Rignanese Aldo H. Romero B. Rousseau Stéphane Le Roux 0002 Oleg Rubel Simon Ruget Michiel J. van Setten Abdullah A. Shukri Benjamin Stamm Martin Stankovski Gabriel Stoltz Qinglin Tang Marc Torrent 0001 B. Van Troeye Matthieu J. Verstraete David Waroquiers Julia Wiktor Bin Xu 0011 Aihui Zhou Josef W. ZwanzigerJoe W. Zwanziger