Concepedia

Thomas Plé

TP

11

Publications

257

Citations

11

H-Index

2019

Active since

Affiliations

Centre National de la Recherche Scientifique(Current)

Sorbonne Université

Institut des NanoSciences de Paris

Laboratoire de Chimie Théorique

École Polytechnique Fédérale de Lausanne

Thomas Plé is an author at Centre National de la Recherche Scientifique specializing in quantum simulation, applied physics, and physics.

ORCID

Top concepts

Publications per year

2019–2024

11

Publications

11

Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua et al. · Chemical Science · 2023 · 40 citations · Full text

Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects

Thomas Plé, Louis Lagardère, Jean‐Philip Piquemal · Chemical Science · 2023 · 34 citations · Full text

The Fluctuation–Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations

Étienne Mangaud, Simon Huppert, Thomas Plé et al. · Journal of Chemical Theory and Computation · 2019 · 29 citations · Full text

Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath

Nastasia Mauger, Thomas Plé, Louis Lagardère et al. · The Journal of Physical Chemistry Letters · 2021 · 28 citations · Full text

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials

Thomas Plé, Nastasia Mauger, Olivier Adjoua et al. · Journal of Chemical Theory and Computation · 2023 · 27 citations · Full text

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