Loïc Joubert-Doriol

8
Documents

Publications

Publications

Deposit thumbnail

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-05078073v1
Deposit thumbnail

Ultrafast proton transfer in a photoionized glycine by a mixed quantum–classical and quantum dynamics

Kossi Kety , Jesús González-Vázquez , Piero Decleva , Jorge Delgado , Alicia Palacios et al.

The Journal of Chemical Physics, 2025, 163 (16), pp.164122. ⟨10.1063/5.0288179⟩

Article dans une revue hal-05365978v1

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-05028182v1

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-04250730v1

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-03690111v1

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-03690112v1

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-03825376v1
Deposit thumbnail

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-02108321v1