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
Google:
"Anthony Scemama"
Mean distance: 11.54
 
SNBCP

Parents

Sign in to add mentor
Patrick Chaquin grad student 2001-2004 Université de Toulouse
 (Reactivité en milieu atmosphérique et analyse Monte Carlo quantique de la localisation électronique)
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Ammar A, Scemama A, Giner E. (2023) Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor. The Journal of Chemical Physics. 159
Ammar A, Scemama A, Giner E. (2023) Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation. Journal of Chemical Theory and Computation
Damour Y, Quintero-Monsebaiz R, Caffarel M, et al. (2022) Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality. Journal of Chemical Theory and Computation. 19: 221-234
Shepard S, Panadés-Barrueta RL, Moroni S, et al. (2022) Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization. Journal of Chemical Theory and Computation. 18: 6722-6731
Ammar A, Scemama A, Giner E. (2022) Extension of selected configuration interaction for transcorrelated methods. The Journal of Chemical Physics. 157: 134107
Ammar A, Giner E, Scemama A. (2022) Optimization of Large Determinant Expansions in Quantum Monte Carlo. Journal of Chemical Theory and Computation
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
See more...