Emmanuel Giner
Overview
Explore the profile of Emmanuel Giner including associated specialties, affiliations and a list of published articles.
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Articles
44
Citations
150
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Recent Articles
1.
Tenti L, Peeters S, Giner E, Angeli C
J Chem Theory Comput
. 2024 Dec;
20(24):10861-10874.
PMID: 39630937
The use of the mutual information (MI) as a measure of the entanglement in quantum systems has gained a consensus in recent years, even if there is an ongoing effort...
2.
Traore D, Adjoua O, Feniou C, Lygatsika I, Maday Y, Posenitskiy E, et al.
Commun Chem
. 2024 Nov;
7(1):269.
PMID: 39557987
Using GPU-accelerated state-vector emulation, we propose to embed a quantum computing ansatz into density-functional theory via density-based basis-set corrections to obtain quantitative quantum-chemistry results on molecules that would otherwise require...
3.
Alavi A, Allen M, Atalar K, Berkelbach T, Booth G, Burton H, et al.
Faraday Discuss
. 2024 Oct;
254(0):451-499.
PMID: 39404254
No abstract available.
4.
Abraham V, Atalar K, Berard K, Booth G, Burton H, Chan G, et al.
Faraday Discuss
. 2024 Oct;
254(0):191-215.
PMID: 39378043
No abstract available.
5.
Ammar A, Scemama A, Loos P, Giner E
J Chem Phys
. 2024 Aug;
161(8).
PMID: 39171701
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI method, the scaling of their computational cost with respect to the system size...
6.
Traore D, Toulouse J, Giner E
Faraday Discuss
. 2024 Jul;
254(0):315-331.
PMID: 39076108
We present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [, , 234107 (2023)]. We apply this approach to...
7.
Labat M, Giner E, Jeanmairet G
J Chem Phys
. 2024 Jul;
161(1).
PMID: 38958166
This paper presents the first implementation of a coupling between advanced wavefunction theories and molecular density functional theory (MDFT). This method enables the modeling of solvent effect into quantum mechanical...
8.
Feniou C, Adjoua O, Claudon B, Zylberman J, Giner E, Piquemal J
J Phys Chem Lett
. 2024 Mar;
15(11):3197-3205.
PMID: 38483286
Quantum computing allows, in principle, the encoding of the exponentially scaling many-electron wave function onto a linearly scaling qubit register, offering a promising solution to overcome the limitations of traditional...
9.
Hesselmann A, Giner E, Reinhardt P, Knowles P, Werner H, Toulouse J
J Comput Chem
. 2024 Feb;
45(15):1247-1253.
PMID: 38348951
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...
10.
Ferte A, Giner E, Taieb R, Carniato S
J Chem Phys
. 2023 Oct;
159(14).
PMID: 37811825
The core valence separation (CVS) approximation is the most employed strategy to prevent the variational collapse of standard wave function optimization when attempting to compute electronic states bearing one or...