Nicolaï Gouraud
Doctoral Student, Applied Mathematics
Research engineer at Qubit Pharmaceuticals
nicolai.gouraud[@]sorbonne-universite.fr
nicolai[@]qubit-pharmaceuticals.com
Sorbonne Université: LJLL, UPMC, 4 place Jussieu, 75005, Paris, France | Office 15-25-324
Qubit Pharmaceuticals: 29 rue du Faubourg St Jacques, 75014, Paris, France
I am a research engineer in applied mathematics at Qubit Pharmaceuticals and doctoral student at the Laboratoire Jacques-Louis Lions (Sorbonne Université) and the Laboratoire de Chimie Théorique (Sorbonne Université) in Paris, France. My supervisors are Professor Jean-Philip Piquemal (LCT) and Associate Professor Pierre Monmarché (LJLL).
I studied mathematics in Sorbonne Université, Paris. After passing the Agrégation (french competitive exam for teachers) in 2020, I completed in the master's program M2 Probabilités et modèles aléatoires at Sorbonne Université Paris VI.
My research lies in stochastic methods for molecular dynamics, MCMC algorithms, kinetic processes, PDMP (Piecewise-Deterministic Markov Processes) and Monte-Carlo methods in quantum computing.
Preprints and publications
N. Gouraud, P. Le Bris, A. Majka, P. Monmarché, HMC and underdamped Langevin united in the unadjusted convex smooth case.
ArXiv (Preprint 2023)
M. D'Arcangelo, D. Loco, Fresnel team, N. Gouraud, S. Angebault, J. Sueiro, P. Monmarché, J. Forêt, L.P. Henry L. Henriet, J.P. Piquemal , Leveraging Analog Quantum Computing with Neutral atoms for Solvent Configuration Prediction in Drug Discovery. Physical Review Research (2024).
Published, ArXivN. Gouraud, L. Journel, P. Monmarché, The velocity jump Langevin process and its splitting scheme: long time convergence and numerical accuracy.
ArXiv (Preprint 2024)N. Gouraud, L. Lagardère, O. Adjoua, T. Plé, P. Monmarché, J.-P. Piquemal, Velocity Jumps for Molecular Dynamics. ArXiv (Preprint 2024)
CV
Full CV.
Communications
Talks
Day of LJLL, November 2023, Sorbonne Université, Paris.
Doctoral Seminar of LPSM, Febuary 2024, Sorbonne Université, Paris.
Groupe de Travail des Thésards (GTT) of LJLL, Febuary 2024, Sorbonne Université, Paris.
Doctoral Seminar of LCT, Febuary 2024, Sorbonne Université, Paris.
Groupe de Travail "Processus de Markov", May 2024, Sorbonne Université, Paris.
Posters
Summer school: "Sampling high-dimensional probability measures : applications in (non)equilibrium molecular dynamics and statistics". September 2023, CERMICS, Ecole des Ponts ParisTech
5th Tinker Developer Workshop. June 2023, Washington University, Saint-Louis, Missouri
Attended conferences
Sacl-AI 4 Science Workshop, July 2024, Ecole Polytechnique, Palaiseau, France
6th Tinker Developer Workshop, May 2024, University of Pisa, Italy
Summer school: "Sampling high-dimensional probability measures : applications in (non)equilibrium molecular dynamics and statistics", September 2023, CERMICS, Ecole des Ponts ParisTech
A Random Walk in the Land of Stochastic Analysis and Numerical Probability, September 2023, CIRM, Marseille
5th Tinker Developer Workshop, June 2023, Washington University, Saint-Louis, Missouri
France Quantum Conference, June 2023, Station F, Paris
The Roadmap to quantum value by QC Ware & Bpifrance, May 2023, Hyatt Regency, Paris Etoile
Workshop of ANR EFI (Entropy, Flows, Inequalities), November 2022, Université Claude Bernard, Lyon
Probabilistic numerical methods for machine learning : recent trends, June 2022Centre Henri Lebesgue, Université d’Angers, France
Teaching
I give tutorials for undergraduate students at Sorbonne Université, Paris VI.
Probabilités II, L3 (3rd year undergraduate): Spring 2024
Formules de Stokes et EDP, L3 (3rd year undergraduate): Spring 2023
Mathématiques pour les études scientifiques 1, L1 (1st year undergraduate): Fall 2022
Équations différentielles, L2 (2nd year undergraduate): Spring 2022
