Anthony Scemama, Ph.D.

Affiliations: 
Chemistry Université de Toulouse, Toulouse, Occitanie, France 
Area:
Theoretical Chemistry
Website:
https://www.rocq.inria.fr/micmac/spip.php?rubrique13
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"Anthony Scemama"
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SNBCP

Parents

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Patrick Chaquin grad student 2001-2004 Université de Toulouse
 (Reactivité en milieu atmosphérique et analyse Monte Carlo quantique de la localisation électronique)
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Publications

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Monino E, Boggio-Pasqua M, Scemama A, et al. (2022) Reference Energies for Cyclobutadiene: Automerization and Excited States. The Journal of Physical Chemistry. A. 126: 4664-4679
Scemama A, Savin A. (2022) The effect of uncertainty on building blocks in molecules. The Journal of Chemical Physics. 156: 234302
Cuzzocrea A, Moroni S, Scemama A, et al. (2022) Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes. Journal of Chemical Theory and Computation. 18: 1089-1095
Damour Y, Véril M, Kossoski F, et al. (2021) Accurate full configuration interaction correlation energy estimates for five- and six-membered rings. The Journal of Chemical Physics. 155: 134104
Kossoski F, Marie A, Scemama A, et al. (2021) Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster. Journal of Chemical Theory and Computation
Dash M, Moroni S, Filippi C, et al. (2021) Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene. Journal of Chemical Theory and Computation. 17: 3426-3434
Benali A, Gasperich K, Jordan KD, et al. (2020) Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond. The Journal of Chemical Physics. 153: 184111
Scemama A, Giner E, Benali A, et al. (2020) Taming the fixed-node error in diffusion Monte Carlo via range separation. The Journal of Chemical Physics. 153: 174107
Cuzzocrea A, Scemama A, Briels WJ, et al. (2020) Variational principles in quantum Monte Carlo: the troubled story of variance minimization. Journal of Chemical Theory and Computation
Giner E, Scemama A, Loos PF, et al. (2020) A basis-set error correction based on density-functional theory for strongly correlated molecular systems. The Journal of Chemical Physics. 152: 174104
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