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Disambiguation of "Lipparini, Filippo"

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Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model

, , , and . Journal of chemical theory and computation, 15 (11): 6061-6073 (2019)
DOI: 10.1021/acs.jctc.9b00640

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Filippo Gajo University of Stuttgart

 

Other publications of authors with the same name

Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy, , , , , , , , and . Journal of Chemical Physics, (2014)Excited state Born–Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA, , and . Physical chemistry, chemical physics, 22 (35): 19532-19541 (2020)Multiscale Models for Light-Driven Processes, , , , and . Annual review of physical chemistry, 72 (1): 489-513 (2021)A ΔSCF model for excited states within a polarisable embedding, , , , and . Molecular physics, 121 (9-10): e2089605 (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, (October 2023)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)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)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)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)