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Filippo Lipparini · SciRah

Researcher profile · Semantic Scholar

Filippo Lipparini

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Filippo Lipparini — researcher profile on SciRah

h-index: 34
Works: 136
Citations: 4,652

Most-cited papers

Coupled-cluster techniques for computational chemistry: The CFOUR program package.
D. Matthews, Lan Cheng, M. Harding, Filippo Lipparini +5 more
2020Journal of Chemical Physics622 citations Open access
Semantic Scholar
A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules.
Pierre-François Loos, Filippo Lipparini, M. Boggio‐Pasqua, A. Scemama +1 more
2019Journal of Chemical Theory and Computation195 citations Open access
Semantic Scholar
QUESTDB: A database of highly accurate excitation energies for the electronic structure community
Mickaël Veril, A. Scemama, M. Caffarel, Filippo Lipparini +3 more
2020WIREs Computational Molecular Science164 citations Open access
Semantic Scholar
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza, M. Nottoli, Lorenzo Cupellini, Filippo Lipparini +1 more
2020Physical Chemistry, Chemical Physics - PCCP103 citations Open access
Semantic Scholar
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding.
Daniele Loco, Louis Lagardère, S. Caprasecca, Filippo Lipparini +2 more
2017Journal of Chemical Theory and Computation89 citations Open access
Semantic Scholar
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap.
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
2023Journal of Physical Chemistry Letters65 citations Open access
Semantic Scholar
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein
Mattia Bondanza, Lorenzo Cupellini, Filippo Lipparini, B. Mennucci
2020Chem51 citations Open access
Semantic Scholar
General Linear Scaling Implementation of Polarizable Embedding Schemes.
Filippo Lipparini
2019Journal of Chemical Theory and Computation50 citations Open access
Semantic Scholar
Hybrid QM/classical models: Methodological advances and new applications
Filippo Lipparini, B. Mennucci
2021Chemical Physics Reviews44 citations Open access
Semantic Scholar
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
Daniele Loco, Louis Lagardère, G. Cisneros, G. Scalmani +4 more
2019Chemical Science38 citations Open access
Semantic Scholar
Multiscale Models for Light-Driven Processes.
M. Nottoli, Lorenzo Cupellini, Filippo Lipparini, G. Granucci +1 more
2021Annual review of physical chemistry (Print)37 citations Open access
Semantic Scholar
QUEST Database of Highly-Accurate Excitation Energies.
Pierre-François Loos, M. Boggio‐Pasqua, Aymeric Blondel, Filippo Lipparini +1 more
2025Journal of Chemical Theory and Computation34 citations Open access
Semantic Scholar
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods.
I. Knysh, Filippo Lipparini, Aymeric Blondel, I. Duchemin +3 more
2024Journal of Chemical Theory and Computation34 citations Open access
Semantic Scholar
Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging
S. Brünken, Filippo Lipparini, A. Stoffels, P. Jusko +3 more
2019Journal of Physical Chemistry A34 citations Open access
Semantic Scholar
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4.
Pierre-François Loos, Filippo Lipparini, D. Matthews, Aymeric Blondel +1 more
2022Journal of Chemical Theory and Computation30 citations Open access
Semantic Scholar
How accurate are EOM-CC4 vertical excitation energies?
Pierre-François Loos, D. Matthews, Filippo Lipparini, D. Jacquemin
2021Journal of Chemical Physics29 citations Open access
Semantic Scholar
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion
Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao
2020Journal of Physical Chemistry B28 citations Open access
Semantic Scholar
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
B. Stamm, Louis Lagardère, G. Scalmani, P. Gatto +5 more
2018International Journal of Quantum Chemistry28 citations Open access
Semantic Scholar
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field.
Greta Donati, Andrew Wildman, S. Caprasecca, D. Lingerfelt +3 more
2017Journal of Physical Chemistry Letters28 citations Open access
Semantic Scholar
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
Patrizia Mazzeo, S. Hashem, Filippo Lipparini, Lorenzo Cupellini +1 more
2023Journal of Physical Chemistry Letters26 citations Open access
Semantic Scholar
Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular Dynamics
E. Polack, G. Dusson, B. Stamm, Filippo Lipparini
2021Journal of Chemical Theory and Computation24 citations Open access
Semantic Scholar
General formulation of polarizable embedding models and of their coupling.
M. Nottoli, Filippo Lipparini
2020Journal of Chemical Physics24 citations Open access
Semantic Scholar
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model.
Andrew Wildman, Greta Donati, Filippo Lipparini, B. Mennucci +1 more
2018Journal of Chemical Theory and Computation24 citations
Semantic Scholar
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, M. Barbatti +1 more
2022Journal of Physical Chemistry A22 citations Open access
Semantic Scholar
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field.
Hongbin Liu, Andrew J. Jenkins, Andrew Wildman, M. Frisch +3 more
2019Journal of Chemical Theory and Computation22 citations Open access
Semantic Scholar
Spectral Variability in Phycocyanin Cryptophyte Antenna Complexes is Controlled by Changes in the α‐Polypeptide Chains
Marina Corbella, Lorenzo Cupellini, Filippo Lipparini, G. Scholes +1 more
2019ChemPhotoChem21 citations Open access
Semantic Scholar
Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules.
Chao-Qun Zhang, Filippo Lipparini, Stella Stopkowicz, Jürgen Gauss +1 more
2024Journal of Chemical Theory and Computation19 citations Open access
Semantic Scholar
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine.
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini +3 more
2024Journal of the American Chemical Society19 citations Open access
Semantic Scholar
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone.
M. Nottoli, Mattia Bondanza, Filippo Lipparini, B. Mennucci
2021Journal of Chemical Physics19 citations Open access
Semantic Scholar
Vibrational Excitation Hindering an Ion-Molecule Reaction: The c-C_{3}H_{2}^{+}-H_{2} Collision Complex.
C. Markus, O. Asvany, T. Salomon, P. Schmid +4 more
2020Physical Review Letters19 citations Open access
Semantic Scholar
NMR chemical shift computations at second-order Møller-Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals.
Sophia Burger, Filippo Lipparini, J. Gauss, Stella Stopkowicz
2021Journal of Chemical Physics17 citations Open access
Semantic Scholar
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA.
M. Nottoli, B. Mennucci, Filippo Lipparini
2020Physical Chemistry, Chemical Physics - PCCP17 citations
Semantic Scholar
An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries
E. Polack, Aleksandr Mikhalev, G. Dusson, Benjamin Stamm +1 more
2020Molecular Physics17 citations Open access
Semantic Scholar
A Many-Body, Fully Polarizable Approach to QM/MM Simulations
Eleftherios Lambros, Filippo Lipparini, G. Cisneros, F. Paesani
2020Journal of Chemical Theory and Computation16 citations Open access
Semantic Scholar
A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein
S. Hashem, Lorenzo Cupellini, Filippo Lipparini, B. Mennucci
2020Molecular Physics16 citations Open access
Semantic Scholar
Quantum calculations in solution of energies, structures and properties with a domain decomposition polarizable continuum model.
M. Nottoli, B. Stamm, G. Scalmani, Filippo Lipparini
2019Journal of Chemical Theory and Computation16 citations
Semantic Scholar
A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals
Tommaso Nottoli, J. Gauss, Filippo Lipparini
2021Molecular Physics15 citations Open access
Semantic Scholar
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding.
Peter Reinholdt, J. Kongsted, Filippo Lipparini
2021Journal of Chemical Theory and Computation15 citations
Semantic Scholar
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition.
Tommaso Nottoli, Sophia Burger, Stella Stopkowicz, Jürgen Gauss +1 more
2022Journal of Chemical Physics14 citations Open access
Semantic Scholar
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations.
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, Filippo Lipparini +1 more
2024Journal of Physical Chemistry A13 citations Open access
Semantic Scholar
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome.
Veronica Macaluso, Lorenzo Cupellini, G. Salvadori, Filippo Lipparini +1 more
2020Physical Chemistry, Chemical Physics - PCCP13 citations Open access
Semantic Scholar
Coupled Cluster Theory with Induced-Dipole Polarizable Embedding for Ground and Excited States.
Sijin Ren, Filippo Lipparini, B. Mennucci, M. Caricato
2019Journal of Chemical Theory and Computation13 citations
Semantic Scholar
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics.
Mattia Bondanza, Tommaso Nottoli, M. Nottoli, Lorenzo Cupellini +2 more
2024Journal of Chemical Physics12 citations Open access
Semantic Scholar
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain
S. Hashem, Veronica Macaluso, M. Nottoli, Filippo Lipparini +2 more
2021Chemical Science12 citations Open access
Semantic Scholar
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation
M. Nottoli, R. Nifosì, B. Mennucci, Filippo Lipparini
2021Journal of Chemical Theory and Computation12 citations Open access
Semantic Scholar
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics
Veronica Macaluso, S. Hashem, M. Nottoli, Filippo Lipparini +2 more
2021Journal of Physical Chemistry B12 citations Open access
Semantic Scholar
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions.
Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, É. Cancès
2024Journal of Physical Chemistry A11 citations Open access
Semantic Scholar
ddX: Polarizable continuum solvation from small molecules to proteins
M. Nottoli, M. Herbst, Aleksandr Mikhalev, Abhinav Jha +2 more
2024WIREs Computational Molecular Science11 citations Open access
Semantic Scholar
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals.
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
2023Journal of Chemical Physics11 citations Open access
Semantic Scholar
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces.
Jonas Greiner, Ivan Giannì, Tommaso Nottoli, Filippo Lipparini +2 more
2024Journal of Chemical Theory and Computation10 citations Open access
Semantic Scholar

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Lorenzo Cupellini×11
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Pierre-François Loos×7
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Tommaso Nottoli

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Mattia Bondanza×6

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