يعرض 1 - 10 نتائج من 504 نتيجة بحث عن '"Scribano, Yohann"', وقت الاستعلام: 0.83s تنقيح النتائج
  1. 1
    تقرير
    A Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions

    المؤلفون: Chen, Ahai, Benoit, David M., Scribano, Yohann, Nauts, André, Lauvergnat, David

    المصدر: J. Chem. Theory Comput. 2022

    مصطلحات موضوعية: Physics - Atomic Physics, Physics - Computational Physics, Quantum Physics, 81-08, 81V55, J.2

    الوصول الحر: http://arxiv.org/abs/2201.05857Test

    View record in Arxiv

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  2. 2
    دورية أكاديمية
    Machine learning prediction of state-to-state rate constants for astrochemistry

    المؤلفون: Bossion, Duncan, Nyman, Gunnar, Scribano, Yohann

    المساهمون: Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry and Molecular Biology Gothenburg, Göteborgs Universitet = University of Gothenburg (GU), Laboratoire Univers et Particules de Montpellier (LUPM), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Knut and Alice Wallenberg Foundation through grant nr. KAW 2020.0081

    المصدر: ISSN: 2949-7477 ; Artificial Intelligence Chemistry ; https://hal.science/hal-04452423Test ; Artificial Intelligence Chemistry, 2024, 2 (1), pp.100052. ⟨10.1016/j.aichem.2024.100052⟩.

    مصطلحات موضوعية: Machine Learning, Quantum dynamics, Astrochemistry -Methods, [INFO.INFO-NE]Computer Science [cs]/Neural and Evolutionary Computing [cs.NE], [PHYS.PHYS]Physics [physics]/Physics [physics], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]

    العلاقة: hal-04452423; https://hal.science/hal-04452423Test; https://hal.science/hal-04452423/documentTest; https://hal.science/hal-04452423/file/BOSSION_AIC_2024.pdfTest; INSPIRE: 2758284

    الإتاحة: https://doi.org/10.1016/j.aichem.2024.100052Test
    https://hal.science/hal-04452423Test
    https://hal.science/hal-04452423/documentTest
    https://hal.science/hal-04452423/file/BOSSION_AIC_2024.pdfTest

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  3. 3
    تقرير
    The low temperature D$^+$ + H$_2$ $\rightarrow$ HD + H$^+$ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

    المؤلفون: Bhowmick, Somnath, Bossion, Duncan, Scribano, Yohann, Suleimanov, Yury V.

    مصطلحات موضوعية: Physics - Chemical Physics

    الوصول الحر: http://arxiv.org/abs/1809.03929Test

    View record in Arxiv

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  4. 4
    دورية أكاديمية
    Rovibrational states calculations of the H 2 O–HCN heterodimer with the multiconfiguration time dependent Hartree method

    المؤلفون: Tajouo Tela, Hervé, Quintas-Sánchez, Ernesto, Dubernet, Marie-Lise, Scribano, Yohann, Dawes, Richard, Gatti, Fabien, Ndengué, Steve

    المساهمون: University of Rwanda, Missouri University of Science and Technology (Missouri S&T), University of Missouri System, Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique et Atmosphères = Laboratory for Studies of Radiation and Matter in Astrophysics and Atmospheres (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris Sciences et Lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY), Molécules dans l'Univers, Université Paris Sciences et Lettres (PSL)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-CY Cergy Paris Université (CY)-École normale supérieure - Paris (ENS-PSL), Laboratoire Univers et Particules de Montpellier (LUPM), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), IRN MCTDH

    المصدر: ISSN: 1463-9076.

    مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

    العلاقة: hal-04304761; https://hal.science/hal-04304761Test; https://hal.science/hal-04304761/documentTest; https://hal.science/hal-04304761/file/overleaf_h2ohcn.pdfTest; INSPIRE: 2734983

    الإتاحة: https://doi.org/10.1039/D3CP03225FTest
    https://hal.science/hal-04304761Test
    https://hal.science/hal-04304761/documentTest
    https://hal.science/hal-04304761/file/overleaf_h2ohcn.pdfTest

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  5. 5
    دورية أكاديمية
    Making sense of transmission resonances and Smith lifetimes in one-dimensional scattering: The extended phase space quantum trajectory picture

    المؤلفون: Dupuy, Lucien, Parlant, Gérard, Poirier, Bill, Scribano, Yohann

    المصدر: Chemical Physics ; volume 572, page 111952 ; ISSN 0301-0104

    مصطلحات موضوعية: Physical and Theoretical Chemistry, General Physics and Astronomy

    الإتاحة: https://doi.org/10.1016/j.chemphys.2023.111952Test
    https://api.elsevier.com/content/article/PII:S0301010423001349?httpAccept=text/xmlTest
    https://api.elsevier.com/content/article/PII:S0301010423001349?httpAccept=text/plainTest

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  6. 6
    دورية أكاديمية
    Smolyak Algorithm Adapted to a System−Bath Separation:Application to an Encapsulated Molecule with Large-AmplitudeMotions

    المؤلفون: Ahai, Chen, Benoit, David, Scribano, Yohann, Nauts, André, Lauvergnat, David

    المساهمون: Institut de Chimie Physique (ICP), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Maison de la Simulation (MDLS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut National de Recherche en Informatique et en Automatique (Inria)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry, Hull University, University of Hull United Kingdom, Laboratoire Univers et Particules de Montpellier (LUPM), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), A.C. acknowledges the funding support from E-CAM European Centre of Excellence, European Union’s Horizon 2020 research and innovation program under Grant No. 676531. We acknowledges the computational resource of the styx in Institut de Chimie Physique, Université Paris-Saclay, the mandelbrot in Maison de la Simulation, CEA-Saclay, and the JUWELS in Jülich Supercomputing Centre provided by Dr. Alan O’Cais in E-CAM, European Project: 676531,H2020,H2020-EINFRA-2015-1,E-CAM(2015)

    المصدر: ISSN: 1549-9618.

    مصطلحات موضوعية: energy, transition, triplet, Hamiltonian, excited state, splitting, water, efficiency, rotation, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]

    العلاقة: info:eu-repo/semantics/altIdentifier/arxiv/2201.05857; info:eu-repo/grantAgreement//676531/EU/An e-infrastructure for software, training and consultancy in simulation and modelling/E-CAM; hal-03723977; https://hal.science/hal-03723977Test; https://hal.science/hal-03723977/documentTest; https://hal.science/hal-03723977/file/2201.05857.pdfTest; ARXIV: 2201.05857; INSPIRE: 2012091

    الإتاحة: https://doi.org/10.1021/acs.jctc.2c00108Test
    https://hal.science/hal-03723977Test
    https://hal.science/hal-03723977/documentTest
    https://hal.science/hal-03723977/file/2201.05857.pdfTest

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  7. 7
    دورية أكاديمية
    Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories

    المؤلفون: Dupuy, Lucien, Talotta, Francesco, Agostini, Federica, Lauvergnat, David, Poirier, Bill, Scribano, Yohann

    المساهمون: Laboratoire Univers et Particules de Montpellier (LUPM), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Institut de Chimie Physique (ICP), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Texas Tech University Lubbock (TTU), ANR-19-CE30-0039,HYTRAJ,Approche hybride de trajectoires quantiques pour les processus réactifs à basse température en phase condensée(2019)

    المصدر: ISSN: 1549-9618.

    مصطلحات موضوعية: [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]

    العلاقة: hal-03825540; https://hal.science/hal-03825540Test; https://hal.science/hal-03825540/documentTest; https://hal.science/hal-03825540/file/Rev1_Non_Adiabatic_TDQT.pdfTest; INSPIRE: 2181584

    الإتاحة: https://doi.org/10.1021/acs.jctc.2c00744Test
    https://hal.science/hal-03825540Test
    https://hal.science/hal-03825540/documentTest
    https://hal.science/hal-03825540/file/Rev1_Non_Adiabatic_TDQT.pdfTest

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  8. 8
    دورية أكاديمية
    Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering

    المؤلفون: Dupuy, Lucien, Lauvergnat, David, Scribano, Yohann

    المساهمون: Laboratoire Univers et Particules de Montpellier (LUPM), Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Institut de Chimie Physique (ICP), Institut de Chimie - CNRS Chimie (INC-CNRS)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), ANR-19-CE30-0039,HYTRAJ,Approche hybride de trajectoires quantiques pour les processus réactifs à basse température en phase condensée(2019)

    المصدر: ISSN: 0009-2614 ; Chemical Physics Letters ; https://hal.science/hal-03368630Test ; Chemical Physics Letters, 2022, 787, pp.139241. ⟨10.1016/j.cplett.2021.139241⟩.

    مصطلحات موضوعية: [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph]

    العلاقة: hal-03368630; https://hal.science/hal-03368630Test; https://hal.science/hal-03368630/documentTest; https://hal.science/hal-03368630/file/CRP_Smolyak_rev1_Unmarked.pdfTest; INSPIRE: 2036144

    الإتاحة: https://doi.org/10.1016/j.cplett.2021.139241Test
    https://hal.science/hal-03368630Test
    https://hal.science/hal-03368630/documentTest
    https://hal.science/hal-03368630/file/CRP_Smolyak_rev1_Unmarked.pdfTest

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  9. 9
    دورية أكاديمية
    Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions

    المؤلفون: Chen, Ahai, Benoit, David M., Scribano, Yohann, Nauts, André, DavidLauvergnat, Lauvergnat, David

    مصطلحات موضوعية: Algorithms, Basis sets, Energy, Molecules, Solvates, E.A. Milne Centre for Astrophysics

    العلاقة: https://hull-repository.worktribe.com/output/3999452Test; Journal of Chemical Theory and Computation; https://hull-repository.worktribe.com/file/3999452/1/Accepted%20manuscriptTest

    الإتاحة: https://doi.org/10.1021/acs.jctc.2c00108Test
    https://hull-repository.worktribe.com/file/3999452/1/Accepted%20manuscriptTest
    https://hull-repository.worktribe.com/output/3999452Test

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  10. 10
    دورية أكاديمية
    Direct and accurate calculation of dwell times and time delays using quantum trajectories

    المؤلفون: Dupuy, Lucien, Parlant, Gérard, Poirier, Bill, Scribano, Yohann

    المصدر: Physics Letters A ; volume 456, page 128548 ; ISSN 0375-9601

    مصطلحات موضوعية: General Physics and Astronomy

    الإتاحة: https://doi.org/10.1016/j.physleta.2022.128548Test
    https://api.elsevier.com/content/article/PII:S0375960122006302?httpAccept=text/xmlTest
    https://api.elsevier.com/content/article/PII:S0375960122006302?httpAccept=text/plainTest

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