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"au:"Michele Parrinello"" — arXiv2 Search
Showing 1–5 of 5 results
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Jul 23, 2024
The need to implement FAIR principles in biomolecular simulations
Nov 9, 2023
Effective Data-Driven Collective Variables for Free Energy Calculations from Metadynamics of Paths
May 31, 2023
A unified framework for machine learning collective variables for enhanced sampling simulations: $\texttt{mlcolvar}$
Feb 15, 2023
Multimap targeted free energy estimation
Jun 17, 2021
Targeted free energy perturbation revisited: Accurate free energies from mapped reference potentials