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Disambiguation of "Lipparini, Filippo"

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Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"

, , , , , and . Software, (2024)
DOI: 10.18419/darus-4030

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Filippo Gajo University of Stuttgart

 

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Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium, , , and . J. Chem. Theory Comput., 13 (7): 3171–3184 (2017)A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular Dynamics, , , , , and . (2023)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics, , , , , and . The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics, , , , , and . The Journal of Chemical Physics, (April 2024)Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding, , , , and . Journal of Chemical Theory and Computation, 11 (2): 694-704 (2015)Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields, , , , , , , , , and 5 other author(s). Chemical Science, (2018)Quantum calculations in solution for large to very large molecules: A new linear scaling QM/continuum approach, , , , , , , , and . Journal of Physical Chemistry Letters, 5 (6): 953-958 (2014)A ΔSCF model for excited states within a polarisable embedding, , , , and . Molecular Physics, (June 2022)Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation, , , and . Journal of chemical theory and computation, 17 (9): 5661-5672 (2021)How to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor-like screening model, , , , , , , , and . International Journal of Quantum Chemistry, (August 2018)