Effective data-driven collective variables for free energy calculations from metadynamics of paths

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Authors: Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli

Journal title: PNAS Nexus

Journal number: Volume 3, Issue 4, April 2024, pgae159

Journal publisher: Oxford University Press

Published year: 2024

DOI identifier: 10.1093/pnasnexus/pgae159

ISSN: 2752-6542