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The Journal of Chemical Physics|July 1, 2019
Calculation of phase diagrams in the multithermal-multibaric ensemblePablo M Piaggi, Michele ParrinelloProceedings of the National Academy of Sciences of the United States of America|September 22, 2018
Predicting polymorphism in molecular crystals using orientational entropyPablo M Piaggi, Michele ParrinelloThe Journal of Chemical Physics|September 24, 2017
Entropy based fingerprint for local crystalline orderPablo M Piaggi, Michele ParrinelloPhysical Review Letters|March 2, 2019
Multithermal-Multibaric Molecular Simulations from a Variational PrinciplePablo M Piaggi, Michele ParrinelloFaraday Discussions|October 19, 2016
A variational approach to nucleation simulationPablo M Piaggi, Omar Valsson, Michele ParrinelloPhysical Review Letters|July 22, 2017
Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic SimulationsPablo M Piaggi, Omar Valsson, Michele ParrinelloJournal of Chemical Theory and Computation|October 29, 2019
Molecular Dynamics Simulations of Crystal Nucleation from Solution at Constant Chemical PotentialTarak Karmakar, Pablo M Piaggi, Michele ParrinelloPhysical Review Letters|October 23, 2020
Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119, 015701 (2017)]Pablo M Piaggi, Omar Valsson, Michele ParrinelloThe Journal of Chemical Physics|June 3, 2019
A local fingerprint for hydrophobicity and hydrophilicity: From methane to peptidesS Pérez-Conesa, Pablo M Piaggi, Michele ParrinelloJournal of Chemical Theory and Computation|March 29, 2018
A Cannibalistic Approach to Grand Canonical Crystal GrowthTarak Karmakar, Pablo M Piaggi, Claudio Perego, et al.Pageof 28