Plé, Thomas

1. Scalable Hybrid Deep Neural Networks/Polarizable Potentials Biomolecular Simulations including long-range effects
   2022/07/28 by Théo Jaffrelot Inizan, Thomas Plé, Inizan, Théo Jaffrelot +13 · 3 citations
   Biochemistry, Genetics and Molecular Biology · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Bioinformatics #Protein Structure and Dynamics
2. Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning Potentials
   2022/12/06 by Thomas Plé, Nastasia Mauger, Plé, Thomas +11 · 2 citations
   Chemistry · Materials Science · Physics and Astronomy · #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Quantum, superfluid, helium dynamics
3. Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals
   2025/04/10 by Anouar Benali, Thomas Plé, Benali, Anouar +39 · 1 voice · 3 citations
   #physics.chem-ph
4. Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation
   2025/10/08 by Côme Cattin, Cattin, Côme, Thomas Plé +10 · 2 voices · 2 citations
   Materials Science · Biochemistry, Genetics and Molecular Biology · Chemistry · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences