Loïc Joubert-Doriol

22
Documents

Publications

Publications

Quantum computer formulation of the FKP-operator eigenvalue problem for probabilistic learning on manifolds

Christian Soize , Loïc Joubert-Doriol , Artur Izmaylov
Computer Methods in Applied Mechanics and Engineering, 2025, 443, pp.118080. ⟨10.1016/j.cma.2025.118080⟩
Article dans une revue hal-05078073 v1

Optimizing Conical Intersections without Explicit Use of Non-Adiabatic Couplings

Juan Sanz García , Rosa Maskri , Alexander Mitrushchenkov , Loïc Joubert-Doriol
Journal of Chemical Theory and Computation, 2024, 20 (13), pp.5643-5654. ⟨10.1021/acs.jctc.4c00326⟩
Article dans une revue hal-05028182 v1

Quantum Kinetic Rates within the Nonequilibrium Steady State

Loïc Joubert-Doriol , Kenneth Jung , Artur Izmaylov , Paul Brumer
Journal of Chemical Theory and Computation, 2023, 19 (4), pp.1130-1143. ⟨10.1021/acs.jctc.2c00987⟩
Article dans une revue hal-04250730 v1

The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics

Rosa Maskri , Loïc Joubert-Doriol
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2022, 380 (2223), ⟨10.1098/rsta.2020.0379⟩
Article dans une revue hal-03690112 v1

Variational Approach for Linearly Dependent Moving Bases in Quantum Dynamics: Application to Gaussian Functions

Loïc Joubert-Doriol
Journal of Chemical Theory and Computation, 2022, 18 (10), pp.5799-5809. ⟨10.1021/acs.jctc.2c00461⟩
Article dans une revue hal-03825376 v1

Controlling energy conservation in quantum dynamics with independently moving basis functions: Application to multi-configuration Ehrenfest

Mina Asaad , Loïc Joubert-Doriol , Artur F. Izmaylov
The Journal of Chemical Physics, 2022, 156 (20), pp.204121. ⟨10.1063/5.0087797⟩
Article dans une revue hal-03690111 v1
Image document

A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran

Benjamin Gonon , Benjamin Lasorne , Gabriel Karras , Loïc Joubert-Doriol , David Lauvergnat et al.
The Journal of Chemical Physics, 2019, 150 (12), pp.124109. ⟨10.1063/1.5085059⟩
Article dans une revue hal-02108321 v1

Treatment of linear dependence in the time-dependent variational principle: How to account for the varying dimensionality of the tangent space?

Loïc Joubert-Doriol
Molecular dynamics workshop, Feb 2024, Angers (France), France
Communication dans un congrès hal-05028181 v1

Full Quantum Dynamics Simulations of Non-adiabatic Photochemistry using Gaussian Wavepackets

Loïc Joubert-Doriol
CHAMPS workshop, Jan 2024, Bristol, United Kingdom
Communication dans un congrès hal-04395758 v1

Electron-nuclear quantum dynamics using Gaussian functions

Loïc Joubert-Doriol
QD4ICEC : Workshop on coupled electron-nuclei dynamics for electron capture processes, Feb 2023, Paris, France
Communication dans un congrès hal-04250732 v1

Light-matter interaction in natural conditions: Estimating timescales in the nonequilibrium steady state

Loïc Joubert-Doriol
Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, Sep 2023, Les Houches, Chamonix, France
Communication dans un congrès hal-04250731 v1
Image document

Quantum dynamics beyond the Born-Oppenheimer approximation in molecular systems

Loïc Joubert-Doriol
Waves 2022, Jul 2022, Palaiseau, France
Communication dans un congrès hal-03825399 v1

From low-energy nonadiabatic dynamics to attochemistry

Loïc Joubert-Doriol
Working Group 2 Workshop of the COST Action CA18222, Feb 2021, Cluj, Romania
Communication dans un congrès hal-03203677 v1

Should we abandon adiabatic states to describe ultrafast molecular dynamics?

Loïc Joubert-Doriol
5 th meeting GDR Ultrafast Phenomena, Nov 2021, Paris, France
Communication dans un congrès hal-03690114 v1

Is the time-dependent variational principle really adapted for independent moving Gaussians?

Loïc Joubert-Doriol
Watching Chemistry Happen, Apr 2021, Leiden, Netherlands
Communication dans un congrès hal-03203678 v1

Utilizing adiabatic states in Non-adiabatic direct quantum dynamics

Loïc Joubert-Doriol
Journées GDR ThéMS, Nov 2019, Orsay, France
Communication dans un congrès hal-02883573 v1

The moving crude adiabatic representation to avoid conical intersection-related problems in "on-the-fly" quantum dynamics

Loïc Joubert-Doriol
Journées Théorie, Modélisation et Simulation, Jun 2019, Paris, France
Communication dans un congrès hal-02883556 v1

Understanding and accounting for geometric phase effects in direct dynamics near conical intersections

Loïc Joubert-Doriol
Mathematical Questions of Molecular Quantum Dynamics, Sep 2019, Paris, France
Communication dans un congrès hal-02883579 v1

The moving crude adiabatic representation: how to use adiabatic states for non-adiabatic dynamics?

Loïc Joubert-Doriol
Conference on Light and Molecules, Oct 2019, Marseille, France
Communication dans un congrès hal-02883588 v1