Zobrazeno 1 - 10 of 26 pro vyhledávání: '"Bruno Senjean"'
1
Akademický článek
Toward density functional theory on quantum computers?
Autor: Bruno Senjean, Saad Yalouz, Matthieu Saubanère
Publikováno v: SciPost Physics, Vol 14, Iss 3, p 055 (2023)
Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schrödinger equation with the wavefunction formalism. It is yet limited to small systems, as thei
Externí odkaz: https://doaj.org/article/56be8cc9517147a68808a29f2bc8a021
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2
Akademický článek
Encoding strongly-correlated many-boson wavefunctions on a photonic quantum computer: application to the attractive Bose-Hubbard model
Autor: Saad Yalouz, Bruno Senjean, Filippo Miatto, Vedran Dunjko
Publikováno v: Quantum, Vol 5, p 572 (2021)
Variational quantum algorithms (VQA) are considered as some of the most promising methods to determine the properties of complex strongly correlated quantum many-body systems, especially from the perspective of devices available in the near term. In
Externí odkaz: https://doaj.org/article/ae6216340a11499c8e9cee8d29d83603
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3
Akademický článek
Orbital transformations to reduce the 1-norm of the electronic structure Hamiltonian for quantum computing applications
Autor: Emiel Koridon, Saad Yalouz, Bruno Senjean, Francesco Buda, Thomas E. O'Brien, Lucas Visscher
Publikováno v: Physical Review Research, Vol 3, Iss 3, p 033127 (2021)
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of noisy-intermediate scale quantum devices over their classical counterpart. Significant improvements have be
Externí odkaz: https://doaj.org/article/87d735b374aa41a5a098d54991a21954
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4
Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver
Autor: Saad Yalouz, Emiel Koridon, Bruno Senjean, Benjamin Lasorne, Francesco Buda, Lucas Visscher
Publikováno v: Journal of Chemical Theory and Computation, 18(2), 776-794
Yalouz, S, Koridon, E, Senjean, B, Lasorne, B, Buda, F & Visscher, L 2022, ' Analytical Nonadiabatic Couplings and Gradients within the State-Averaged Orbital-Optimized Variational Quantum Eigensolver ', Journal of chemical theory and computation, vol. 18, no. 2, pp. 776-794 . https://doi.org/10.1021/acs.jctc.1c00995
Journal of chemical theory and computation, 18(2), 776-794. American Chemical Society
In this work, we introduce several technical and analytical extensions to our recent state-averaged orbital-optimized variational quantum eigensolver (SA-OO-VQE) algorithm (see Ref. [S. Yalouz et al. ,Quantum Sci. Technol. 6, 024004 (2021).]). Motiva
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f908d707104371b31ae6b5c1ec0f814e
http://www.scopus.com/inward/record.url?scp=85123380206&partnerID=8YFLogxK
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5
Performance comparison of optimization methods on variational quantum algorithms
Autor: Xavier Bonet-Monroig, Hao Wang, Diederick Vermetten, Bruno Senjean, Charles Moussa, Thomas Bäck, Vedran Dunjko, Thomas E. O'Brien
Publikováno v: Physical Review A, 107(3):032407
Variational quantum algorithms (VQAs) offer a promising path toward using near-term quantum hardware for applications in academic and industrial research. These algorithms aim to find approximate solutions to quantum problems by optimizing a parametr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c19d608b38e2814f0b1b30275e3e52e
http://hdl.handle.net/1887/3570441
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6
Recursive relations and quantum eigensolver algorithms within modified Schrieffer--Wolff transformations for the Hubbard dimer
Autor: Quentin Marécat, Bruno Senjean, Matthieu Saubanère
We derive recursive relations for the Schrieffer--Wolff (SW) transformation applied to the half-filled Hubbard dimer. While the standard SW transformation is set to block-diagonalize the transformed Hamiltonian solely at the first order of perturbati
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8
Ensemble Density Functional Theory of Neutral and Charged Excitations
Autor: Emmanuel Fromager, Bruno Senjean, Vincent Robert, Filip Cernatic
Publikováno v: Topics in Current Chemistry. 380
Recent progress in the field of (time-independent) ensemble density-functional theory (DFT) for excited states are reviewed. Both Gross-Oliveira-Kohn (GOK) and N-centered ensemble formalisms, which are mathematically very similar and allow for an in-
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7976c299d164397d29b582bce8511cd1
https://doi.org/10.1007/s41061-021-00359-1
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9
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
Autor: Souloke Sen, Michal Repisky, Bruno Senjean, Gerald Knizia, Lucas Visscher
Publikováno v: Journal of chemical theory and computation, 17(3), 1337-1354. American Chemical Society
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (3), pp.1337-1354. ⟨10.1021/acs.jctc.0c00964⟩
Journal of Chemical Theory and Computation, 17(3), 1337-1354. American Chemical Society (ACS)
Senjean, B, Sen, S, Repisky, M, Knizia, G & Visscher, L 2021, ' Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors ', Journal of chemical theory and computation, vol. 17, no. 3, pp. 1337-1354 . https://doi.org/10.1021/acs.jctc.0c00964
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Theory and Computation, copyright © American Chemical Society after peer review and technical editing by the publisher. To access
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14ddd8d93b3f6006e6e43ce201ccab93
https://research.vu.nl/en/publications/40e04f18-b6c2-4235-a961-09e2a421a59a
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10
Weight dependence of local exchange-correlation functionals in ensemble density-functional theory:Double excitations in two-electron systems
Autor: Emmanuel Fromager, Bruno Senjean, Clotilde Marut, Pierre-François Loos
Publikováno v: Marut, C, Senjean, B, Fromager, E & Loos, P F 2020, ' Weight dependence of local exchange-correlation functionals in ensemble density-functional theory : Double excitations in two-electron systems ', Faraday Discussions, vol. 224, pp. 402-423 . https://doi.org/10.1039/d0fd00059k
Faraday Discussions
Faraday Discussions, Royal Society of Chemistry, 2020, 224, pp.402-423. ⟨10.1039/D0FD00059K⟩
Faraday Discussions, 224, 402-423. Royal Society of Chemistry
Gross--Oliveira--Kohn (GOK) ensemble density-functional theory (GOK-DFT) is a time-\textit{independent} extension of density-functional theory (DFT) which allows to compute excited-state energies via the derivatives of the ensemble energy with respec
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44a70d1c71fee5c454d499c64a84aedc
https://hdl.handle.net/1871.1/a8ebfec6-d9a5-45ca-80e0-42df195dfbe1
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