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Plé, Thomas
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1

Advancing Force Fields Parameterization: A Directed Graph A..:

Chen, Gong ; Jaffrelot Inizan, Théo ; Plé, Thomas...
Journal of Chemical Theory and Computation.  20 (2024)  13 - p. 5558-5569 , 2024
Link: https://doi.org/10.1021/..
 
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2

Force-field-enhanced neural network interactions: from loca..:

Plé, Thomas ; Lagardère, Louis ; Piquemal, Jean-Philip
Chemical Science.  14 (2023)  44 - p. 12554-12569 , 2023
Link: https://doi.org/10.1039/..
 
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3

Scalable hybrid deep neural networks/polarizable potentials..:

Jaffrelot Inizan, Théo ; Plé, Thomas ; Adjoua, Olivier...
Chemical Science.  14 (2023)  20 - p. 5438-5452 , 2023
Link: https://doi.org/10.1039/..
 
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4

Routine Molecular Dynamics Simulations Including Nuclear Qu..:

Plé, Thomas ; Mauger, Nastasia ; Adjoua, Olivier...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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5

Improving Condensed-Phase Water Dynamics with Explicit Nucl..:

Mauger, Nastasia ; Plé, Thomas ; Lagardère, Louis..
The Journal of Physical Chemistry B.  126 (2022)  43 - p. 8813-8826 , 2022
Link: https://doi.org/10.1021/..
 
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6

Simulation of Nuclear Quantum Effects in Condensed Matter S..:

Huppert, Simon ; Plé, Thomas ; Bonella, Sara..
Applied Sciences.  12 (2022)  9 - p. 4756 , 2022
Link: https://doi.org/10.3390/..
 
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7

Nuclear Quantum Effects in Liquid Water at Near Classical C..:

Mauger, Nastasia ; Plé, Thomas ; Lagardère, Louis...
The Journal of Physical Chemistry Letters.  12 (2021)  34 - p. 8285-8291 , 2021
Link: https://doi.org/10.1021/..
 
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8

Anharmonic spectral features via trajectory-based quantum d..:

Plé, Thomas ; Huppert, Simon ; Finocchi, Fabio..
The Journal of Chemical Physics.  155 (2021)  10 - p. , 2021
Link: https://doi.org/10.1063/..
 
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9

Sampling the thermal Wigner density via a generalized Lange..:

Plé, Thomas ; Huppert, Simon ; Finocchi, Fabio..
The Journal of Chemical Physics.  151 (2019)  11 - p. , 2019
Link: https://doi.org/10.1063/..
 
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10

The Fluctuation–Dissipation Theorem as a Diagnosis and Cure..:

Mangaud, Etienne ; Huppert, Simon ; Plé, Thomas...
Journal of Chemical Theory and Computation.  15 (2019)  5 - p. 2863-2880 , 2019
Link: https://doi.org/10.1021/..
 
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11

Scalable hybrid deep neural networks/polarizable potentials..:

Jaffrelot Inizan, Théo ; Plé, Thomas ; Adjoua, Olivier...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10208042/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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12

Scalable Hybrid Deep Neural Networks/Polarizable Potentials..:

Jaffrelot-Inizan, Théo ; Plé, Thomas ; Adjoua, Olivier...
info:eu-repo/semantics/altIdentifier/arxiv/2207.14276.  , 2023
Link: https://hal.science/hal-..
 
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13

Force-Field-Enhanced Neural Network Interactions: from Loca..:

Plé, Thomas ; Lagardère, Louis ; Piquemal, Jean-Philip
http://arxiv.org/abs/2301.08734.  , 2023
Link: http://arxiv.org/abs/230..
 
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14

Scalable Hybrid Deep Neural Networks/Polarizable Potentials..:

Jaffrelot-Inizan, Théo ; Plé, Thomas ; Adjoua, Olivier...
info:eu-repo/semantics/altIdentifier/arxiv/2207.14276.  , 2023
Link: https://hal.science/hal-..
 
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15

Scalable Hybrid Deep Neural Networks/Polarizable Potentials..:

Inizan, Théo Jaffrelot ; Plé, Thomas ; Adjoua, Olivier...
http://arxiv.org/abs/2207.14276.  , 2022
Link: http://arxiv.org/abs/220..
 
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