Michele Parrinello
Affiliations: | Chemistry and Applied Biosciences | Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland |
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"Michele Parrinello"Mean distance: 9.57 | S | N | B | C | P |
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Müllender L, Rizzi A, Parrinello M, et al. (2024) Effective data-driven collective variables for free energy calculations from metadynamics of paths. Pnas Nexus. 3: pgae159 |
Rizzi A, Carloni P, Parrinello M. (2023) Free energies at QM accuracy from force fields via multimap targeted estimation. Proceedings of the National Academy of Sciences of the United States of America. 120: e2304308120 |
Bjelobrk Z, Rajagopalan AK, Mendels D, et al. (2022) Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach. Journal of Chemical Theory and Computation. 18: 4952-4959 |
Myung CW, Hirshberg B, Parrinello M. (2022) Prediction of a Supersolid Phase in High-Pressure Deuterium. Physical Review Letters. 128: 045301 |
Bonati L, Piccini G, Parrinello M. (2021) Deep learning the slow modes for rare events sampling. Proceedings of the National Academy of Sciences of the United States of America. 118 |
Rizzi A, Carloni P, Parrinello M. (2021) Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials. The Journal of Physical Chemistry Letters. 9449-9454 |
Yang M, Karmakar T, Parrinello M. (2021) Liquid-Liquid Critical Point in Phosphorus. Physical Review Letters. 127: 080603 |
Ansari N, Rizzi V, Carloni P, et al. (2021) Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution. Journal of the American Chemical Society |
Grifoni E, Piccini G, Lercher JA, et al. (2021) Confinement effects and acid strength in zeolites. Nature Communications. 12: 2630 |
Ahlawat P, Hinderhofer A, Alharbi EA, et al. (2021) A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI. Science Advances. 7 |