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Journal of Chemical Theory and Computation|March 2, 2019
Making the Best of a Bad Situation: A Multiscale Approach to Free Energy CalculationMichele Invernizzi, Michele ParrinelloJournal of Chemical Theory and Computation|May 26, 2022
Exploration vs Convergence Speed in Adaptive-Bias Enhanced SamplingMichele Invernizzi, Michele ParrinelloThe Journal of Physical Chemistry Letters|March 20, 2020
Rethinking Metadynamics: From Bias Potentials to Probability DistributionsMichele Invernizzi, Michele ParrinelloJournal of Chemical Theory and Computation|February 20, 2019
Enhanced Sampling of Transition StatesJayashrita Debnath, Michele Invernizzi, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|March 16, 2017
Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau modelMichele Invernizzi, Omar Valsson, Michele ParrinelloThe Journal of Chemical Physics|May 10, 2020
Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequalityBarak Hirshberg, Michele Invernizzi, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|May 9, 2018
Molecular dynamics simulations of liquid silica crystallizationHaiyang Niu, Pablo M Piaggi, Michele Invernizzi, et al.Journal of Chemical Theory and Computation|October 4, 2022
Rare Event Kinetics from Adaptive Bias Enhanced SamplingDhiman Ray, Narjes Ansari, Valerio Rizzi, et al.Journal of Chemical Theory and Computation|February 24, 2022
Computing Rates and Understanding Unbinding Mechanisms in Host-Guest SystemsJayashrita Debnath, Michele ParrinelloJournal of Chemical Theory and Computation|August 16, 2023
Kinetics from Metadynamics: Principles, Applications, and OutlookDhiman Ray, Michele ParrinelloPageof 26