Français
Molecular dynamics algorithms: numerical and mathematical analysis
Multi angle
Authors : Lelièvre, Tony (Author of the conference)
CIRM (Publisher )
Additional resources :
https://www.cirm-math.fr/RepOrga/2389/Slides/Lelievre.pdf
CIRM (Publisher )
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Abstract :
We will present sampling algorithms which are used in computational statistical physics to sample multimodal measures and metastable dynamics. More precisely, we will focus on free energy adaptive biasing techniques to approximate thermodynamic quantities, and accelerated dynamics methods to sample the state-to-state dynamics of a metastable trajectory. The mathematical analysis of these algorithms relies on entropy techniques, and quasi-stationary distributions.
MSC Codes : Additional resources :
https://www.cirm-math.fr/RepOrga/2389/Slides/Lelievre.pdf
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Information on the Video
Film maker : Hennenfent, GuillaumeLanguage : English Available date : 18/11/2021 Conference Date : 27/09/2021 Subseries : Research talks arXiv category : Numerical Analysis ; Analysis of PDEs Mathematical Area(s) : Numerical Analysis & Scientific Computing ; PDE ; Probability & Statistics Format : MP4 (.mp4) - HD Video Time : 00:59:26 Targeted Audience : Researchers Download : https://videos.cirm-math.fr/2021-09-27_Lelievre.mp4 
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Information on the Event
Event Title : On Future Synergies for Stochastic and Learning Algorithms / Sur les synergies futures autour des algorithmes d'apprentissage et stochastiquesEvent Organizers : Durmus, Alain ; Michel, Manon ; Roberts, Gareth ; Zdeborova, Lenka Dates : 27/09/2021 - 01/10/2021 Event Year : 2021 Event URL : https://conferences.cirm-math.fr/2389.html
Citation Data
DOI : 10.24350/CIRM.V.19817503Cite this video as: Lelièvre, Tony (2021). Molecular dynamics algorithms: numerical and mathematical analysis. CIRM. Audiovisual resource. doi:10.24350/CIRM.V.19817503 URI : http://dx.doi.org/10.24350/CIRM.V.19817503 |
See Also
- [Multi angle] MCMC for systems with glassy dynamics / Author of the conference Berthier, Ludovic.
- [Post-edited] Biased Monte Carlo sampling in RBMs / Author of the conference Seoane, Beatriz.
- [Multi angle] Irreversible Monte Carlo methods for particle simulations / Author of the conference Maggs, Anthony.
- [Multi angle] Coupling rare event algorithms and deep neural network to predict extreme heat waves / Author of the conference Bouchet, Freddy.
Bibliography
- LELIEVRE, Tony et STOLTZ, Gabriel. Partial differential equations and stochastic methods in molecular dynamics. Acta Numerica, 2016, vol. 25, p. 681-880. - https://doi.org/10.1017/S0962492916000039
- LELIÈVRE, Tony. Mathematical foundations of accelerated molecular dynamics methods. Handbook of Materials Modeling: Methods: Theory and Modeling, 2020, p. 773-803. - https://doi.org/10.1007/978-3-319-44677-6_27
