FR
Loic JOUBERT-DORIOL
Maître de Conférences
Loic JOUBERT-DORIOL
Maître de Conférences
Contact :
Laboratoire de Modélisation et Simulation Multi Echelle
Équipe de Chimie Théorique
5, Boulevard Descartes
77454, Marne-la-Vallée Cedex 2
Localisation géographique :
Bâtiment Lavoisier, Bureau K 32
Tél : +33 (0) 1 60 95 73 02
Fax : +33 (0) 1 60 95 73 20
Mail : loic.joubert-doriol@univ-eiffel.fr
Intérêts scientifiques :
- Détermination d'états électroniques excités
- Processus non-adiabatiques en photochimie
- Développements méthodologiques en dynamique quantique
- Construction de hamiltoniens modèles à grande dimensionnalité
- Dynamique quantique directe ("au-vol")
Mes dernières références
My latest references
Liste des Publications
List of articles
Christian Soize, Loïc Joubert-Doriol, Artur Izmaylov
Quantum computer formulation of the FKP-operator eigenvalue problem for probabilistic learning on manifolds. Computer Methods in Applied Mechanics and Engineering, 2025, 443, pp.118080
⟨10.1016/j.cma.2025.118080⟩
Quantum computer formulation of the FKP-operator eigenvalue problem for probabilistic learning on manifolds. Computer Methods in Applied Mechanics and Engineering, 2025, 443, pp.118080
⟨10.1016/j.cma.2025.118080⟩
Juan Sanz García, Rosa Maskri, Alexander Mitrushchenkov, Loïc Joubert-Doriol
Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings. Journal of Chemical Theory and Computation, 2024, 20 (13), pp.5643-5654
⟨10.1021/acs.jctc.4c00326⟩
Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings. Journal of Chemical Theory and Computation, 2024, 20 (13), pp.5643-5654
⟨10.1021/acs.jctc.4c00326⟩
Loïc Joubert-Doriol
Full Quantum Dynamics Simulations of Non-adiabatic Photochemistry using Gaussian Wavepackets. CHAMPS workshop, Jan 2024, Bristol, United Kingdom
Full Quantum Dynamics Simulations of Non-adiabatic Photochemistry using Gaussian Wavepackets. CHAMPS workshop, Jan 2024, Bristol, United Kingdom
Loïc Joubert-Doriol
Treatment of linear dependence in the time-dependent variational principle: How to account for the varying dimensionality of the tangent space?. Molecular dynamics workshop, Feb 2024, Angers (France), France
Treatment of linear dependence in the time-dependent variational principle: How to account for the varying dimensionality of the tangent space?. Molecular dynamics workshop, Feb 2024, Angers (France), France
Loïc Joubert-Doriol, Kenneth Jung, Artur Izmaylov, Paul Brumer
Quantum Kinetic Rates within the Nonequilibrium Steady State. Journal of Chemical Theory and Computation, 2023, 19 (4), pp.1130-1143
⟨10.1021/acs.jctc.2c00987⟩
Quantum Kinetic Rates within the Nonequilibrium Steady State. Journal of Chemical Theory and Computation, 2023, 19 (4), pp.1130-1143
⟨10.1021/acs.jctc.2c00987⟩
Loïc Joubert-Doriol
Light-matter interaction in natural conditions: Estimating timescales in the nonequilibrium steady state. Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, Sep 2023, Les Houches, Chamonix, France
Light-matter interaction in natural conditions: Estimating timescales in the nonequilibrium steady state. Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, Sep 2023, Les Houches, Chamonix, France
Loïc Joubert-Doriol
Electron-nuclear quantum dynamics using Gaussian functions. QD4ICEC : Workshop on coupled electron-nuclei dynamics for electron capture processes, Feb 2023, Paris, France
Electron-nuclear quantum dynamics using Gaussian functions. QD4ICEC : Workshop on coupled electron-nuclei dynamics for electron capture processes, Feb 2023, Paris, France
Loïc Joubert-Doriol
A variational approach for linearly dependent moving basis in quantum dynamics: application to Gaussian functions. High Dimensional Quantum Dynamics, Jul 2022, Groningen, Netherlands
A variational approach for linearly dependent moving basis in quantum dynamics: application to Gaussian functions. High Dimensional Quantum Dynamics, Jul 2022, Groningen, Netherlands
Rosa Maskri, Alexander Mitrushchenkov, Loïc Joubert-Doriol
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics. Rencontre des Chimistes Théoriciens Francophones 2022, Jun 2022, Bordeaux, France
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics. Rencontre des Chimistes Théoriciens Francophones 2022, Jun 2022, Bordeaux, France
Mina Asaad, Loïc Joubert-Doriol, Artur F
Izmaylov. Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest. The Journal of Chemical Physics, 2022, 156 (20), pp.204121
⟨10.1063/5.0087797⟩
Izmaylov. Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest. The Journal of Chemical Physics, 2022, 156 (20), pp.204121
⟨10.1063/5.0087797⟩
Loïc Joubert-Doriol
Variational Approach for Linearly Dependent Moving Bases in Quantum Dynamics: Application to Gaussian Functions. Journal of Chemical Theory and Computation, 2022, 18 (10), pp.5799-5809
⟨10.1021/acs.jctc.2c00461⟩
Variational Approach for Linearly Dependent Moving Bases in Quantum Dynamics: Application to Gaussian Functions. Journal of Chemical Theory and Computation, 2022, 18 (10), pp.5799-5809
⟨10.1021/acs.jctc.2c00461⟩
Rosa Maskri, Loïc Joubert-Doriol
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2022, 380 (2223)
⟨10.1098/rsta.2020.0379⟩
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2022, 380 (2223)
⟨10.1098/rsta.2020.0379⟩
Loïc Joubert-Doriol
Quantum dynamics beyond the Born-Oppenheimer approximation in molecular systems. Waves 2022, Jul 2022, Palaiseau, France
Quantum dynamics beyond the Born-Oppenheimer approximation in molecular systems. Waves 2022, Jul 2022, Palaiseau, France
Loïc Joubert-Doriol
Should we abandon adiabatic states to describe ultrafast molecular dynamics?. 5 th meeting GDR Ultrafast Phenomena, Nov 2021, Paris, France
Should we abandon adiabatic states to describe ultrafast molecular dynamics?. 5 th meeting GDR Ultrafast Phenomena, Nov 2021, Paris, France
Loïc Joubert-Doriol
From low-energy nonadiabatic dynamics to attochemistry. Working Group 2 Workshop of the COST Action CA18222, Feb 2021, Cluj, Romania
From low-energy nonadiabatic dynamics to attochemistry. Working Group 2 Workshop of the COST Action CA18222, Feb 2021, Cluj, Romania
Loïc Joubert-Doriol
Is the time-dependent variational principle really adapted for independent moving Gaussians?. Watching Chemistry Happen, Apr 2021, Leiden, Netherlands
Is the time-dependent variational principle really adapted for independent moving Gaussians?. Watching Chemistry Happen, Apr 2021, Leiden, Netherlands
Loïc Joubert-Doriol
Direct nonadiabatic quantum dynamics in the moving crude adiabatic representation. Première réunion générale du GDR NBODY, Jan 2020, Lille, France
Direct nonadiabatic quantum dynamics in the moving crude adiabatic representation. Première réunion générale du GDR NBODY, Jan 2020, Lille, France
Loïc Joubert-Doriol
The moving crude adiabatic representation to avoid conical intersection-related problems in "on-the-fly" quantum dynamics. Journées Théorie, Modélisation et Simulation, Jun 2019, Paris, France
The moving crude adiabatic representation to avoid conical intersection-related problems in "on-the-fly" quantum dynamics. Journées Théorie, Modélisation et Simulation, Jun 2019, Paris, France
Loïc Joubert-Doriol
Understanding and accounting for geometric phase effects in direct dynamics near conical intersections. Mathematical Questions of Molecular Quantum Dynamics, Sep 2019, Paris, France
Understanding and accounting for geometric phase effects in direct dynamics near conical intersections. Mathematical Questions of Molecular Quantum Dynamics, Sep 2019, Paris, France
Loïc Joubert-Doriol
The moving crude adiabatic representation: how to use adiabatic states for non-adiabatic dynamics?. Conference on Light and Molecules, Oct 2019, Marseille, France
The moving crude adiabatic representation: how to use adiabatic states for non-adiabatic dynamics?. Conference on Light and Molecules, Oct 2019, Marseille, France
Benjamin Gonon, Benjamin Lasorne, Gabriel Karras, Loïc Joubert-Doriol, David Lauvergnat, et al.
A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran. The Journal of Chemical Physics, 2019, 150 (12), pp.124109
⟨10.1063/1.5085059⟩
A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran. The Journal of Chemical Physics, 2019, 150 (12), pp.124109
⟨10.1063/1.5085059⟩