Nicolaï Gouraud
6
Documents
Publications
Publications
Velocity Jumps for Molecular DynamicsJournal of Chemical Theory and Computation, 2025, ⟨10.1021/acs.jctc.5c00023⟩
Article dans une revue
hal-04852362
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Leveraging Analog Quantum Computing with Neutral Atoms for Solvent Configuration Prediction in Drug DiscoveryPhysical Review Research, 2024, 6 (4), pp.043020. ⟨10.1103/PhysRevResearch.6.043020⟩
Article dans une revue
hal-04214318
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Stochastic algorithms for high-dimensional sampling in molecular dynamics : mathematical analysis and scalable implementationMathematical Physics [math-ph]. Sorbonne Université, 2025. English. ⟨NNT : 2025SORUS166⟩
Thèse
tel-05268606
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HMC and Langevin united in the unadjusted and convex case2022
Pré-publication, Document de travail
hal-03762600
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Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models using Multiple Time-Step and Distillation2025
Pré-publication, Document de travail
hal-05304754
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The velocity jump Langevin process and its splitting scheme: long time convergence and numerical accuracy2025
Pré-publication, Document de travail
hal-05156769
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