Loic JOUBERT-DORIOL
Maître de Conférences Responsable de la deuxième année de licence physique et chimie
Champs-sur-Marne
Bâtiment: Building: Lavoisier
Bureau: Office: K32
Loic JOUBERT-DORIOL
Maître de Conférences Responsable de la deuxième année de licence physique et chimie
Maître de conférences à l'Université Gustave Eiffel (UGE)
Équipe Chimie Théorique, laboratoire Modélisation et Simulation Multi Echelle (MSME - UMR 8208)
Enseignement à l'Institut Francilien des Sciences Appliqués (IFSA)
Responsable de la deuxième année de licence physique et chimie (L2PC)
Annonces :
Nous sommes actuellement à la recherche de candidats au niveau master. Une continuation en doctorat est possible.
Sujets possibles :
- Diabatisation optimale
- Principe variationnel espace-temps
- Calcul quantique pour l'apprentissage probabiliste
Les projets de recherche sont téléchargeables au format pdf dans la colonne de gauche.
Intérêts scientifiques :
- Dynamique quantique non-adiabatiques
- Hamiltoniens modèles
- Dynamique directe "au-vol"
- Méthode quantique pour l'apprentissage probabiliste
Enseignements :
- Cinématique et dynamique du point (L1)
- Optique ondulatoire (L1)
- Mécanique quantique (L2)
- Méthodes numériques (L3)
- Spéctroscopie atomique et moléculaire (L3)
Adresse :
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
Associate Professor at "Université Gustave Eiffel (UGE)"
Theoretical Chemistry Group, "Modélisation et Simulation Multi-Échelle (MSME)" Laboratory
Teaching at the "Institut Francilien des Sciences Appliquées (IFSA)"
Coordinator of the second year of the Bachelor’s degree in Physics and Chemistry
Announcements:
We are currently seeking Master’s-level candidates. A continuation to a PhD program is possible.
Subjects include:
- Optimal diabatization
- Space-time variational principle
- Quantum computing for probabilistic learning
The research projects can be downloaded in PDF format from the left-hand column.
Research Interests:
- Non-adiabatic quantum dynamics
- Model Hamiltonians
- On-the-fly direct dynamics
- Quantum methods for probabilistic learning
Teaching:
- Classical mechanics (1st year)
- Wave optics (1st year)
- Quantum mechanics (2nd year)
- Numerical methods (3rd year)
- Atomic and molecular spectroscopy (3rd year)
Address:
Laboratoire de Modélisation et Simulation Multi-Échelle
Theoretical Chemistry Group
5, Boulevard Descartes
77454 Marne-la-Vallée Cedex 2, France
Office: Lavoisier Building, Room K32
Phone: +33 (0)1 60 95 73 02
Email: loic.joubert-doriol@univ-eiffel.fr
Mes dernières références
My latest references
Liste de publications
List of papers
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⟩
Ultrafast proton transfer in a photoionized glycine by a mixed quantum–classical and quantum dynamics. The Journal of Chemical Physics, 2025, 163 (16), pp.164122
⟨10.1063/5.0288179⟩
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
Full Quantum Dynamics Simulations of Non-adiabatic Photochemistry using Gaussian Wavepackets. CHAMPS workshop, Jan 2024, Bristol, United Kingdom
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⟩
Electron-nuclear quantum dynamics using Gaussian functions. QD4ICEC : Workshop on coupled electron-nuclei dynamics for electron capture processes, Feb 2023, Paris, France
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⟩
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
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⟩
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⟩
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⟩
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics. Rencontre des Chimistes Théoriciens Francophones 2022, Jun 2022, Bordeaux, France
A variational approach for linearly dependent moving basis in quantum dynamics: application to Gaussian functions. High Dimensional Quantum Dynamics, Jul 2022, Groningen, Netherlands
Quantum dynamics beyond the Born-Oppenheimer approximation in molecular systems. Waves 2022, Jul 2022, Palaiseau, France
Should we abandon adiabatic states to describe ultrafast molecular dynamics?. 5 th meeting GDR Ultrafast Phenomena, Nov 2021, Paris, France
From low-energy nonadiabatic dynamics to attochemistry. Working Group 2 Workshop of the COST Action CA18222, Feb 2021, Cluj, Romania
Is the time-dependent variational principle really adapted for independent moving Gaussians?. Watching Chemistry Happen, Apr 2021, Leiden, Netherlands
Direct nonadiabatic quantum dynamics in the moving crude adiabatic representation. Première réunion générale du GDR NBODY, Jan 2020, Lille, France
Utilizing adiabatic states in Non-adiabatic direct quantum dynamics. Journées GDR ThéMS, Nov 2019, Orsay, 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
Understanding and accounting for geometric phase effects in direct dynamics near conical intersections. Mathematical Questions of Molecular Quantum Dynamics, Sep 2019, Paris, France
The moving crude adiabatic representation: how to use adiabatic states for non-adiabatic dynamics?. Conference on Light and Molecules, Oct 2019, Marseille, France
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⟩