Filippo Lipparini, Ph.D.
Affiliations: | 2017- | Theoretical Chemistry | Università di Pisa, Pisa, Toscana, Italy |
Area:
Theoretical ChemistryWebsite:
https://www.researchgate.net/profile/Filippo_LippariniGoogle:
"Filippo Lipparini"Mean distance: 10.52 | S | N | B | C | P |
Parents
Sign in to add mentor| Vincenzo Barone | grad student | 2010-2013 | Scuola Normale Superiore di Pisa | |
| (Molecular properties in complex environments: towards a polarizable multiscale approach) | ||||
| Benedetta Mennucci | grad student | 2010-2013 | Università di Pisa | |
| (Molecular properties in complex environments: towards a polarizable multiscale approach) | ||||
| Yvon Maday | post-doc | 2013-2014 | Université Pierre et Marie Curie | |
| Jean-Philip Piquemal | post-doc | 2013-2014 | Université Pierre et Marie Curie | |
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Publications
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| Bondanza M, Nottoli T, Nottoli M, et al. (2024) The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics. The Journal of Chemical Physics. 160 |
| Moscato D, Mandelli G, Bondanza M, et al. (2024) Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society |
| Lambros E, Link B, Chow M, et al. (2023) Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. The Journal of Physical Chemistry. A. 127: 9322-9333 |
| Pes F, Polack É, Mazzeo P, et al. (2023) A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics. The Journal of Physical Chemistry Letters. 14: 9720-9726 |
| Mazzeo P, Hashem S, Lipparini F, et al. (2023) Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The Journal of Physical Chemistry Letters. 1222-1229 |
| Nottoli M, Mikhalev A, Stamm B, et al. (2022) Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library. The Journal of Physical Chemistry. B |
| Pollastrini M, Pasquinelli L, Górecki M, et al. (2022) A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity. The Journal of Organic Chemistry |
| Bondanza M, Demoulin B, Lipparini F, et al. (2022) Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation. The Journal of Physical Chemistry. A. 126: 6780-6789 |
| Gopakumar G, Muchová E, Unger I, et al. (2022) Probing aqueous ions with non-local Auger relaxation. Physical Chemistry Chemical Physics : Pccp. 24: 8661-8671 |
| Mancini G, Fusè M, Lipparini F, et al. (2022) Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. Journal of Chemical Theory and Computation. 18: 2479-2493 |