Anthony Scemama

Centre National de la Recherche Scientifique — France

Physics and Astronomy · Physical Sciences

27h-index3.0kcitations165works2.12yr avg
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Research Topics

Advanced Chemical Physics Studies(94), Spectroscopy and Quantum Chemical Studies(45), Machine Learning in Materials Science(23), Quantum, superfluid, helium dynamics(15), Photochemistry and Electron Transfer Studies(11)

Publications165 total

QMCkl: A Kernel Library for Quantum Monte Carlo Applications
ArXiv.org·2025Open Access
Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C17H12) Dications and Trications : C2Hq+x Release pathways
SPIRE - Sciences Po Institutional REpository·2025Open Access
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer
The Journal of Chemical Physics·2025· 4 citedOpen Access
Author response for "Doubly ionized 2,4-imidazolidinedione (Hydantoin) dissociations induced by electron collision, fragmentation thresholds vs vertical excitation energies"
2025
Author response for "Doubly ionized 2,4-imidazolidinedione (Hydantoin) dissociations induced by electron collision, fragmentation thresholds vs vertical excitation energies"
2025
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
The Journal of Chemical Physics·2025· 1 citedOpen Access
Doubly ionised 2,4-imidazolidinedione (hydantoin) dissociations induced by electron collision, fragmentation thresholds vs vertical excitation energies
HAL (Le Centre pour la Communication Scientifique Directe)·2025Open Access
Shifting sands of hardware and software in exascale quantum mechanical simulations
Nature Reviews Physics·2025· 1 citedOpen Access
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
arXiv (Cornell University)·2025· 1 citedOpen Access
Doubly ionised 2,4-imidazolidinedione (hydantoin) dissociations induced by electron collision, fragmentation thresholds <i>vs.</i> vertical excitation energies
Physical Chemistry Chemical Physics·2025· 1 citedOpen Access
Developing libraries to increase performance, interoperability and reproducibility
SPIRE - Sciences Po Institutional REpository·2024Open Access
Improved modularity and new features in <tt>ipie</tt>: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
The Journal of Chemical Physics·2024· 9 citedOpen Access
Selected configuration interaction using a transcorrelated Hamiltonian
SPIRE - Sciences Po Institutional REpository·2024Open Access
Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software
2024Open Access
Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software
2024· 1 citedOpen Access
Compactification of determinant expansions via transcorrelation
The Journal of Chemical Physics·2024· 7 citedOpen Access
Selected Configuration Interaction for Resonances
The Journal of Physical Chemistry Letters·2024· 7 citedOpen Access
Long-Range Configuration Interaction with an <i>Ab Initio</i> Short-Range Correction and an Asymptotic Lower Bound
The Journal of Physical Chemistry A·2024Open Access
Stochastically accelerated perturbative triples correction in coupled cluster calculations
The Journal of Chemical Physics·2024· 1 citedOpen Access
Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Michel Caffarel(22), Pierre‐François Loos(20), Emmanuel Giner(12), Denis Jacquemin(11), Claudia Filippi(7), Thomas Applencourt(5), Anouar Benali(5), Saverio Moroni(5), Martial Boggio‐Pasqua(4), Fábris Kossoski(4), Patrick Chaquin(4), Yann Garniron(3), Kevin Gasperich(3), Barthélémy Pradines(3), Julien Toulouse(3), Mickaël Véril(3), Monika Dash(3), Y. Bénilan(3), Antonio Monari(3), Yann Damour(3)