Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session D60: Emerging Trends in Molecular Dynamics Simulations and Machine Learning I
3:00 PM–5:48 PM,
Monday, March 6, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Priya Vashishta, University of Southern California
Abstract: D60.00004 : Learning the committor probability using data-driven path collective variables*
4:00 PM–4:12 PM
Presenter:
Arthur France-Lanord
(CNRS - IMPMC)
Authors:
Arthur France-Lanord
(CNRS - IMPMC)
Hadrien Vroylandt
(Sorbonne Université - ISCD)
Fabio Pietrucci
(Sorbonne Université - IMPMC)
Benjamin Rotenberg
(CNRS - PHENIX)
A. Marco Saitta
(Sorbonne Université - IMPMC)
Mathieu Salanne
(Sorbonne Université - PHENIX)
*We acknowledge support from the Institut des Sciences du Calcul et des Données through the MAESTRO project. This work was granted access to the HPC resources of IDRIS under the allocation A0120901387 made by GENCI.
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