Thomas Plé

Affiliations: 
2017-2020 Institut des NanoSciences de Paris Sorbonne Université, Paris, France 
 2020-2023 Laboratoire de Chimie Théorique Sorbonne Université, Paris, France 
 2023- Laboratoire de Chimie Théorique Centre National de la Recherche Scientifique (CNRS) 
Area:
Theoretical Chemistry; Physics
Website:
https://www.researchgate.net/profile/Thomas-Ple
Google:
"Thomas Plé"
Mean distance: (not calculated yet)
 

Parents

Sign in to add mentor
Sara Bonella grad student 2017-2020 Sorbonne Université
 (Nuclear Quantum Dynamics : exploration and comparison of trajectory-based methods)
Fabio Finocchi grad student 2017-2020 Sorbonne Université
 (Nuclear Quantum Dynamics : exploration and comparison of trajectory-based methods)
Jean-Philip Piquemal post-doc 2021-2023 Sorbonne Université
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Plé T, Lagardère L, Piquemal JP. (2023) Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects. Chemical Science. 14: 12554-12569
Jaffrelot Inizan T, Plé T, Adjoua O, et al. (2023) Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical Science. 14: 5438-5452
Plé T, Mauger N, Adjoua O, et al. (2023) Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials. Journal of Chemical Theory and Computation. 19: 1432-1445
Mauger N, Plé T, Lagardère L, et al. (2022) Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field. The Journal of Physical Chemistry. B
Plé T, Huppert S, Finocchi F, et al. (2021) Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling. The Journal of Chemical Physics. 155: 104108
Mauger N, Plé T, Lagardère L, et al. (2021) Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath. The Journal of Physical Chemistry Letters. 8285-8291
Plé T, Huppert S, Finocchi F, et al. (2019) Sampling the thermal Wigner density via a generalized Langevin dynamics. The Journal of Chemical Physics. 151: 114114
Mangaud E, Huppert S, Plé T, et al. (2019) The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations. Journal of Chemical Theory and Computation
See more...