Exact-factorization-based surface hopping without velocity adjustment L Dupuy, A Rikus, NT Maitra The Journal of Physical Chemistry Letters 15 (10), 2643-2649, 2024 | 13 | 2024 |
Adiabatic and nonadiabatic dynamics with interacting quantum trajectories L Dupuy, F Talotta, F Agostini, D Lauvergnat, B Poirier, Y Scribano Journal of Chemical Theory and Computation 18 (11), 6447-6462, 2022 | 9 | 2022 |
Direct and accurate calculation of dwell times and time delays using quantum trajectories L Dupuy, G Parlant, B Poirier, Y Scribano Physics Letters A 456, 128548, 2022 | 8 | 2022 |
Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian model of reactive scattering L Dupuy, D Lauvergnat, Y Scribano Chemical Physics Letters 787, 139241, 2022 | 4 | 2022 |
Coping with the node problem in resonant scattering simulations using quantum trajectories: an efficient and accurate combined analytical-numerical scheme L Dupuy, Y Scribano The European Physical Journal Special Topics 232 (12), 1871-1883, 2023 | 1 | 2023 |
Making sense of transmission resonances and Smith lifetimes in one-dimensional scattering: The extended phase space quantum trajectory picture L Dupuy, G Parlant, B Poirier, Y Scribano Chemical Physics 572, 111952, 2023 | 1 | 2023 |
Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings L Dupuy, NT Maitra The Journal of Chemical Physics 161 (13), 2024 | | 2024 |
Contributions à la modélisation théorique et numérique de l’effet tunnel dans des systèmes complexes et application à la réactivité chimique L Dupuy Université de Montpellier, 2022 | | 2022 |
Contribution de l’effet tunnel à la réactivité chimique: une approche par trajectoire quantique L Dupuy, Y Scribano Rencontres des Chimistes Théoriciens Francophones (RCTF 2022), 2022 | | 2022 |
Smolyak representations with absorbing boundary conditions for reaction path Hamiltonian of reactive scattering Y Scribano, L Dupuy, D Lauvergnat Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy …, 2022 | | 2022 |
Resonant Tunneling in Chemistry from Quantum Trajectory Base Method L Dupuy, Y Scribano, G Parlant, B Poirier XXth International Workshop on Quantum Atomic and Molecular Tunneling …, 2022 | | 2022 |
Hybrid quantum-classical trajectories method for multidimensional reactive scattering L Dupuy, Y Scribano Réunion annuelle 2021 du GDR THEMS, 2021 | | 2021 |
Quantum mechanical calculations of cumulative reaction probabilities using an efficient Smolyak scheme L Dupuy, Y Scribano, D Lauvergnat Réunion annuelle du GDR ThéMS, 2020 | | 2020 |
Quantum Dynamics with Trajectories: One-Dimensional Scattering Problems L Dupuy, Y Scribano Algorithmes en dynamique quantique moléculaire Algorithms in Quantum …, 2020 | | 2020 |
Sparse grid methods for high dimensional quantum molecular dynamics with large amplitude motions Y Scribano, D Lauvergnat, L Dupuy Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy …, 2019 | | 2019 |