Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Alain Delgado"'
Autor:
Bromley, Thomas R., Arrazola, Juan Miguel, Jahangiri, Soran, Izaac, Josh, Quesada, Nicolás, Gran, Alain Delgado, Schuld, Maria, Swinarton, Jeremy, Zabaneh, Zeid, Killoran, Nathan
Publikováno v:
Quantum Sci. Technol. 5, 034010 (2020)
Gaussian Boson Sampling (GBS) is a near-term platform for photonic quantum computing. Recent efforts have led to the discovery of GBS algorithms with applications to graph-based problems, point processes, and molecular vibronic spectra in chemistry.
Externí odkaz:
http://arxiv.org/abs/1912.07634
Autor:
Modjtaba Shokrian Zini, Alain Delgado, Roberto dos Reis, Pablo Antonio Moreno Casares, Jonathan E. Mueller, Arne-Christian Voigt, Juan Miguel Arrazola
Publikováno v:
Quantum, Vol 7, p 1049 (2023)
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves needed to
Externí odkaz:
https://doaj.org/article/b6effe6576c74e35a4c88374bb12f6e0
Autor:
Juan Miguel Arrazola, Olivia Di Matteo, Nicolás Quesada, Soran Jahangiri, Alain Delgado, Nathan Killoran
Publikováno v:
Quantum, Vol 6, p 742 (2022)
Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of interest in quantum chemistry. In this work, we show that controlled sin
Externí odkaz:
https://doaj.org/article/86465616587b40c9b402ffbc3541451b
Publikováno v:
Quantum, Vol 4, p 307 (2020)
We study the practical performance of quantum-inspired algorithms for recommendation systems and linear systems of equations. These algorithms were shown to have an exponential asymptotic speedup compared to previously known classical methods for pro
Externí odkaz:
https://doaj.org/article/de93eaed0cc94e718c1dca78e20d0ca1
Autor:
Alain Delgado, Pablo A. M. Casares, Roberto dos Reis, Modjtaba Shokrian Zini, Roberto Campos, Norge Cruz-Hernández, Arne-Christian Voigt, Angus Lowe, Soran Jahangiri, M. A. Martin-Delgado, Jonathan E. Mueller, Juan Miguel Arrazola
Publikováno v:
E-Prints Complutense. Archivo Institucional de la UCM
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There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can sometimes fall
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ff47117e15421381d705b4baf064570
Publikováno v:
American Journal of Case Reports. 8/24/2020, Vol. 21, p1-3. 3p.
Autor:
Nathan Killoran, Soran Jahangiri, Chase Roberts, Alain Delgado, Josh Izaac, Juan Miguel Arrazola, Zeyue Niu
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum algorithm for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54aa1c0fcac713d57a3c47976804664a
http://arxiv.org/abs/2106.13840
http://arxiv.org/abs/2106.13840
Publikováno v:
Journal of chemical theory and computation (Online) 15 (2019): 2306–2319. doi:10.1021/acs.jctc.9b00010
info:cnr-pdr/source/autori:Gil G.; Pipolo S.; Delgado A.; Rozzi C.A.; Corni S./titolo:Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model/doi:10.1021%2Facs.jctc.9b00010/rivista:Journal of chemical theory and computation (Online)/anno:2019/pagina_da:2306/pagina_a:2319/intervallo_pagine:2306–2319/volume:15
Journal of Chemical Theory and Computation
info:cnr-pdr/source/autori:Gil G.; Pipolo S.; Delgado A.; Rozzi C.A.; Corni S./titolo:Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model/doi:10.1021%2Facs.jctc.9b00010/rivista:Journal of chemical theory and computation (Online)/anno:2019/pagina_da:2306/pagina_a:2319/intervallo_pagine:2306–2319/volume:15
Journal of Chemical Theory and Computation
We develop an extension of the time-dependent equation-of-motion formulation of the polarizable continuum model (EOM-TDPCM) to introduce nonequilibrium cavity field effects in quantum mechanical calculations of solvated molecules subject to time-depe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d8df882b8810582035311fe7b562cce
https://doi.org/10.1021/acs.jctc.9b00010
https://doi.org/10.1021/acs.jctc.9b00010
Publikováno v:
The journal of physical chemistry letters. 12(4)
An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as current-voltage curves
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::deedb1c3c2000a8f9e171d1bed600cf8
https://pubmed.ncbi.nlm.nih.gov/33497214
https://pubmed.ncbi.nlm.nih.gov/33497214
Autor:
Juan Miguel Arrazola, Olivia Di Matteo, Nicolás Quesada, Soran Jahangiri, Alain Delgado, Nathan Killoran
Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of interest in quantum chemistry. In this work, we show that controlled sin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8eca2ec6d7210fe27de9a5fec8b5a832