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Thomas Plé

Sorbonne Université

11H指数
36论文数
297被引数
收录论文 9
发表时间
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Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models Using Multiple Time Steps and Distillation
errThe Journal of Physical Chemistry Letters
IF0
err2026-01-21
err0
PREAI
errCôme Cattin; Thomas Plé; Olivier Adjoua; Nicolaï Gouraud; Louis Lagardère; Jean-Philip Piquemal
err分享
err收藏
Velocity Jumps for Molecular Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
errOAAI
errGouraud, Nicolai; Lagardere, Louis; Adjoua, Olivier; Ple, Thomas; Monmarche, Pierre; Piquemal, Jean-Philip
err分享
err收藏
FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-25
err3
errOAAI
errPle, Thomas; Adjoua, Olivier; Lagardere, Louis; Piquemal, Jean-Philip
err分享
err收藏
Advancing Force Fields Parameterization: A Directed Graph Attention Networks Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-14
err3
PREAI
errChen, Gong; Inizan, Theo Jaffrelot; Ple, Thomas; Lagardere, Louis; Piquemal, Jean-Philip; Maday, Yvon
err分享
err收藏
Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-01
err18
errOAAI
errPle, Thomas; Mauger, Nastasia; Adjoua, Olivier; Inizan, Theo Jaffrelot; Lagardere, Louis; Huppert, Simon; Piquemal, Jean-Philip
err分享
err收藏
Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects可扩展混合深度神经网络/极化电位生物分子模拟，包括长程效应
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err11
errOAAI
errInizan, Theo Jaffrelot; Ple, Thomas; Adjoua, Olivier; Ren, Pengyu; Gokcan, Hatice; Isayev, Olexandr; Lagardere, Louis; Piquemal, Jean-Philip
err分享
err收藏
Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err8
errOAAI
errPle, Thomas; Lagardere, Louis; Piquemal, Jean-Philip
err分享
err收藏
Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-10
err18
errOAAI
errPle, Thomas; Huppert, Simon; Finocchi, Fabio; Depondt, Philippe; Bonella, Sara
err分享
err收藏
The Fluctuation Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-04-02
err20
errOAAI
errMangaud, Etienne; Huppert, Simon; Ple, Thomas; Depondt, Philippe; Bonella, Sara; Finocchi, Fabio
err分享
err收藏

研究方向

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合作学者
合作期刊
Y
Yvon Maday
H 指数: 60 · 论文数: 392
J
Jean‐Philip Piquemal
H 指数: 59 · 论文数: 346
P
Pengyu Ren
H 指数: 56 · 论文数: 325
O
Olexandr Isayev
H 指数: 55 · 论文数: 278
F
Fabio Finocchi
H 指数: 32 · 论文数: 158
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