Zobrazeno 1 - 10
of 1 058
pro vyhledávání: '"Toulouse, P."'
Autor:
Martínez, A. Blàzquez, Glinšek, S., Granzow, T., Audinot, J. -N., Fertey, P., Kreisel, J., Guennou, M., Toulouse, C.
Strain engineering is a powerful tool routinely used to control and enhance properties such as ferroelectricity, magnetic ordering, or metal-insulator transitions. Epitaxial strain in thin films allows manipulation of in-plane lattice parameters, ach
Externí odkaz:
http://arxiv.org/abs/2409.13505
Autor:
Culus, Jean-François, Toulouse, Sophie
Traditionally, inapproximability results for $\mathsf{Max\,k\,CSP\!-\!q}$ have been established using balanced $t$-wise independent distributions, which are related to orthogonal arrays of strength $t$. We contribute to the field by exploring such co
Externí odkaz:
http://arxiv.org/abs/2409.03903
Autor:
Hacquard, Antoine B., Torres-Diaz, Daniela, Basalgète, Romain, Toulouse, Delfina, Féraud, Géraldine, Del Fré, Samuel, Noble, Jennifer A., Philippe, Laurent, Michaut, Xavier, Fillion, Jean-Hugues, Lafosse, Anne, Amiaud, Lionel, Bertin, Mathieu
Publikováno v:
Phys. Chem. Chem. Phys., 2024
CO$_2$ is a major component of the icy mantles surrounding dust grains in planet and star formation regions. Understanding its photodesorption is crucial for explaining gas phase abundances in the coldest environments of the interstellar medium irrad
Externí odkaz:
http://arxiv.org/abs/2406.17596
Autor:
Culus, Jean-François, Toulouse, Sophie
In [1], we introduced a family of combinatorial designs, which we call "alphabet reduction pairs of arrays", ARPAs for short. These designs depend on three integer parameters $q, p \leq q, k\leq p$: $q$ is the size of the symbol set $\{0, 1 ,\ldots,
Externí odkaz:
http://arxiv.org/abs/2406.10930
Autor:
Traore, Diata, Adjoua, Olivier, Feniou, César, Lygatsika, Ioanna-Maria, Maday, Yvon, Posenitskiy, Evgeny, Hammernik, Kerstin, Peruzzo, Alberto, Toulouse, Julien, Giner, Emmanuel, Piquemal, Jean-Philip
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections (DBBSC) to obtain quantitative quantum-chemistry results on molecules that would other
Externí odkaz:
http://arxiv.org/abs/2405.11567
We present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys. 158, 234107 (2023)]. We apply this approach to accelerate the basis-set conve
Externí odkaz:
http://arxiv.org/abs/2402.16378
Autor:
Heßelmann, Andreas, Giner, Emmanuel, Reinhardt, Peter, Knowles, Peter J., Werner, Hans-Joachim, Toulouse, Julien
Publikováno v:
Journal of Computational Chemistry, 2024
This work reports an efficient density-fitting implementation of the density-based basis-set correction (DBBSC) method in the MOLPRO software. This method consists in correcting the energy calculated by a wave-function method with a given basis set b
Externí odkaz:
http://arxiv.org/abs/2309.10390
Publikováno v:
Dementia and Geriatric Cognitive Disorders Extra, Pp 1-17 (2024)
Introduction: Behavioural and psychological symptoms of dementia (BPSDs) are a group of highly prevalent symptoms in residents with a neurocognitive disorder (NCD), including agitation and depressive symptoms. Caregiving staff often mention knowledge
Externí odkaz:
https://doaj.org/article/4c353dd2e04e4a398ac0c94459132a31
Autor:
Nathalie Germain, Estephanie Jémus-Gonzalez, Vanessa Couture, Émilie Côté, Michèle Morin, Annie Toulouse-Fournier, Laetitia Bert, Raphaëlle Giguère, Samir Sinha, Nadia Sourial, Lucas B. Chartier, Holly O. Witteman, France Légaré, Rawane Samb, Stéphane Turcotte, Sam Chandavong, Lyna Abrougui, Joanie Robitaille, Patrick M. Archambault, on behalf of the Network of Canadian Emergency Researchers
Publikováno v:
BMC Geriatrics, Vol 24, Iss 1, Pp 1-17 (2024)
Abstract Objective Improving care transitions for older adults can reduce emergency department (ED) revisits, and the strain placed upon caregivers. We analyzed whether caregivers felt a change in burden following a care transition, and what may be i
Externí odkaz:
https://doaj.org/article/4a7f0543f4154a85b2607f9d3023679c
The basis-set correction method based on density-functional theory consists in correcting the energy calculated by a wave-function method with a given basis set by a density functional. This basis-set correction density functional incorporates the sh
Externí odkaz:
http://arxiv.org/abs/2305.17093