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Nicolaï Gouraud

HMC and underdamped Langevin united in the unadjusted convex smooth case
2022 · Gouraud, Nicolaï, Bris, Pierre Le, et al. · arXiv (Cornell University) · 22
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Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery
2024 · Mauro D'Arcangelo, Louis-Paul Henry, et al. · Physical Review Research · 21
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HMC and Underdamped Langevin United in the Unadjusted Convex Smooth Case
2025 · Nicolaï Gouraud, Pierre Le Bris, et al. · SIAM/ASA Journal on Uncertainty Quantification · 12
Accelerating Molecular Dynamics Simulations with Foundation Neural Network Models Using Multiple Time Steps and Distillation
2026 · Côme Cattin, Thomas Plé, et al. · The Journal of Physical Chemistry Letters · 4
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Velocity Jumps for Molecular Dynamics
2025 · Nicolaï Gouraud, Louis Lagardère, et al. · Journal of Chemical Theory and Computation · 4
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The velocity jump Langevin process and its splitting scheme: long time convergence and numerical accuracy
2025 · Nicolaï Gouraud, Lucas Journel, et al. · SMAI Journal of Computational Mathematics · 3
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Faster Molecular Dynamics with Neural Network Potentials via Distilled Multiple Time-Stepping and Nonconservative Forces
2026 · Nicolaï Gouraud, Côme Cattin, et al. · Journal of Chemical Theory and Computation · 2
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The Convergence Frontier: Integrating Machine Learning and High Performance Quantum Computing for Next-Generation Drug Discovery
2026 · Ansari, Narjes, Feniou, César, et al. · HAL · 2
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Stochastic algorithms for high-dimensional sampling in molecular dynamics : mathematical analysis and scalable implementation
2025 · Nicolaï Gouraud · theses.fr (ABES)
Works count: 9
Citation count: 70
H-index: 4
I10-index: 3
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