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Physical Review Letters|September 13, 2014
Variational approach to enhanced sampling and free energy calculationsOmar Valsson, Michele ParrinelloJournal of Chemical Theory and Computation|May 26, 2022
Exploration vs Convergence Speed in Adaptive-Bias Enhanced SamplingMichele Invernizzi, Michele ParrinelloChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 31, 2002
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditionsDaniel Sebastiani, Michele ParrinelloPhysical Review Letters|May 16, 2007
Generalized neural-network representation of high-dimensional potential-energy surfacesJörg Behler, Michele ParrinelloPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 7, 2007
Accurate sampling using Langevin dynamicsGiovanni Bussi, Michele ParrinelloJournal of Chemical Theory and Computation|November 18, 2015
Well-Tempered Variational Approach to Enhanced SamplingOmar Valsson, Michele ParrinelloPhysical Review Letters|May 15, 2002
Anharmonic Raman spectra in high-pressure ice from ab initio simulationsAnna Putrino, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid statePablo M Piaggi, Julian D Gale, Paolo RaiteriThe Journal of Physical Chemistry. B|May 17, 2023
Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop FoldingKosar Rahimi, Pablo M Piaggi, Gül H ZerzeJournal of Chemical Theory and Computation|December 18, 2018
Enhanced Sampling of Protein Conformational Transitions via Dynamically Optimized Collective VariablesZ Faidon Brotzakis, Michele ParrinelloPageof 28