Filippo Lipparini

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 63

Top Topics

Molecular Dynamics

Energy Transfer

Transition Metal

Early Breast Cancer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Università degli Studi di Pisa

Scuola Normale Superiore (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Università degli Studi di Pisa Jun 19 2017

Italy

Assistant Professor :: Dipartimento di Chimica e Chimica Industriale

Universita' di Pisa Jun 19 2017 - Nov 01 2021

Italy

Ricercatori a tempo determinato :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Università di Pisa Jun 19 2017 - Jun 19 2020

Italy

Ricercatori a tempo determinato :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Johannes Gutenberg-Universität Mainz Oct 01 2014 - Jun 09 2017

Germany

Alexander von Humboldt postdoctoral fellow :: Chemistry

Universita' di Pisa Jun 15 2016 - Jun 18 2016

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Università di Pisa Jun 15 2016 - Jun 18 2016

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Sorbonne Universités Jan 15 2013 - May 23 2014

France

Postdoc :: LJLL@UPMC and LCT@UPMC

Universita' di Pisa Feb 25 2014 - Feb 25 2014

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Università di Pisa Feb 25 2014 - Feb 25 2014

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Universita' di Pisa Sep 03 2013 - Sep 03 2013

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Università di Pisa Sep 03 2013 - Sep 03 2013

Italy

Personale esterno ed autonomi :: DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE

Education History

Scuola Normale Superiore Jan 01 2010 - Jan 10 2013

Italy

PHD :: Classe di Scienze, Chemistry

Publications

Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, Eric Cancès
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions. The journal of physical chemistry. A 128 (31) (2024)
Jonas Greiner, Ivan Gianni, Tommaso Nottoli, Filippo Lipparini, Janus J Eriksen, Jürgen Gauss
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces. Journal of chemical theory and computation 20 (11) (2024)
Qian Wang, Dage Sundholm, Jürgen Gauss, Tommaso Nottoli, Filippo Lipparini, Shota Kino, Shusaku Ukai, Norihito Fukui, Hiroshi Shinokubo
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole. Physical chemistry chemical physics : PCCP 26 (20) (2024)
Laurent Vidal, Tommaso Nottoli, Filippo Lipparini, Eric Cancès
Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions. The journal of physical chemistry. A (2024)
Qian Wang, Dage Sundholm, Jürgen Gauss, Tommaso Nottoli, Filippo Lipparini, Shota Kino, Shusaku Ukai, Norihito Fukui, Hiroshi Shinokubo
Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole. Physical chemistry chemical physics : PCCP (2024)
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini, Riccardo Conte, Benedetta Mennucci, Michele Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society (2024)
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini, Riccardo Conte, Benedetta Mennucci, Michele Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society 146 (12) (2024)
Delio Santalucia, Mattia Bondanza, Filippo Lipparini, Matyas Ripszam, Nicolò Rossi, Alessandro Mandoli
Breaking the Rules: On the Relative Stability of Some Methylencyclopropane and Methylcyclopropene Derivatives. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Michele Nottoli, Edoardo Vanich, Lorenzo Cupellini, Giovanni Scalmani, Chiara Pelosi, Filippo Lipparini
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol. The journal of physical chemistry letters 15 (31) (2024)
Chaoqun Zhang, Filippo Lipparini, Stella Stopkowicz, Jürgen Gauss, Lan Cheng
Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules. Journal of chemical theory and computation (2024)
Iryna Knysh, Filippo Lipparini, Aymeric Blondel, Ivan Duchemin, Xavier Blase, Pierre-François Loos, Denis Jacquemin
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/ GW , and Wave Function Methods. Journal of chemical theory and computation (2024)
Michele Nottoli, Edoardo Vanich, Lorenzo Cupellini, Giovanni Scalmani, Chiara Pelosi, Filippo Lipparini
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol. The journal of physical chemistry letters (2024)
Jonas Greiner, Ivan Gianni, Tommaso Nottoli, Filippo Lipparini, Janus J Eriksen, Jürgen Gauss
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces. Journal of chemical theory and computation (2024)
Antonio Del Vecchio, Elisabetta Rosadoni, Lorenzo Ballerini, Angela Cuzzola, Filippo Lipparini, Paolo Ronchi, Sara Guariento, Matteo Biagetti, Giulia Marianetti, Fabio Bellina
Transition Metal-Driven Selectivity in Direct C-H Arylation of Imidazo[2,1-b]Thiazole. ChemistryOpen (2024)
Chaoqun Zhang, Filippo Lipparini, Stella Stopkowicz, Jürgen Gauss, Lan Cheng
Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules. Journal of chemical theory and computation 20 (2) (2024)
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, Filippo Lipparini, Jürgen Gauss
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations. The journal of physical chemistry. A (2024)
Delio Santalucia, Mattia Bondanza, Filippo Lipparini, Matyas Ripszam, Nicolò Rossi, Alessandro Mandoli
Breaking the Rules: On the Relative Stability of Some Methylencyclopropane and Methylcyclopropene Derivatives. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (29) (2024)
Riccardo Alessandro, Ivan Giannì, Federica Pes, Tommaso Nottoli, Filippo Lipparini
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm. Journal of chemical theory and computation (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
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 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
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 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
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 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
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 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
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 (2023)
Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap. The journal of physical chemistry letters (2023)
Federica Pes, Étienne Polack, Patrizia Mazzeo, Geneviève Dusson, Benjamin Stamm, Filippo Lipparini
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 (2023)
Eleftherios Lambros, Benjamin Link, Mathew Chow, Filippo Lipparini, Sharon Hammes-Schiffer, Xiaosong Li
Assessing Implicit and Explicit Polarizable Solvation Models for Nuclear-Electronic Orbital Systems: Quantum Proton Polarization and Solvation Energetics. The journal of physical chemistry. A (2023)
Michele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, Filippo Lipparini
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX Library. The journal of physical chemistry. B 126 (43) (2022)
Pierre-François Loos, Filippo Lipparini, Devin A Matthews, Aymeric Blondel, Denis Jacquemin
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4. Journal of chemical theory and computation 18 (7) (2022)
Giordano Mancini, Marco Fusè, Filippo Lipparini, Michele Nottoli, Giovanni Scalmani, Vincenzo Barone
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 (4) (2022)
Matteo Pollastrini, Luca Pasquinelli, Marcin Górecki, Federica Balzano, Lorenzo Cupellini, Filippo Lipparini, Gloria Uccello Barretta, Fabio Marchetti, Gennaro Pescitelli, Gaetano Angelici
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity. The Journal of organic chemistry 87 (21) (2022)
Geethanjali Gopakumar, Eva Muchová, Isaak Unger, Sebastian Malerz, Florian Trinter, Gunnar Öhrwall, Filippo Lipparini, Benedetta Mennucci, Denis Céolin, Carl Caleman, Iain Wilkinson, Bernd Winter, Petr Slavíček, Uwe Hergerhahn, Olle Björneholm
Probing aqueous ions with non-local Auger relaxation. Physical chemistry chemical physics : PCCP 24 (15) (2022)
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, Mario Barbatti, Benedetta Mennucci
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation. The journal of physical chemistry. A 126 (38) (2022)
Marcin Górecki, Filippo Lipparini, Gianluigi Albano, Tamás Jávorfi, Rohanah Hussain, Giuliano Siligardi, Gennaro Pescitelli, Daniele Barbaro
Electronic Circular Dichroism Imaging (ECDi) Casts a New Light on the Origin of Solid-State Chiroptical Properties. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (4) (2021)
Veronica Macaluso, Shaima Hashem, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The journal of physical chemistry. B 125 (36) (2021)
Étienne Polack, Geneviève Dusson, Benjamin Stamm, Filippo Lipparini
Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular Dynamics. Journal of chemical theory and computation 17 (11) (2021)
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding. Journal of chemical theory and computation 18 (1) (2021)
Shaima Hashem, Veronica Macaluso, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain. Chemical science 12 (40) (2021)
Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals. Journal of chemical theory and computation 17 (11) (2021)
Matteo Pollastrini, Filippo Lipparini, Luca Pasquinelli, Federica Balzano, Gloria Uccello Barretta, Gennaro Pescitelli, Gaetano Angelici
A Proline Mimetic for the Design of New Stable Secondary Structures: Solvent-Dependent Amide Bond Isomerization of (S)-Indoline-2-carboxylic Acid Derivatives. The Journal of organic chemistry 86 (12) (2021)
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, Benedetta Mennucci
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone. The Journal of chemical physics 154 (18) (2021)
Michele Nottoli, Riccardo Nifosì, Benedetta Mennucci, Filippo Lipparini
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. Journal of chemical theory and computation 17 (9) (2021)
Devin A Matthews, Lan Cheng, Michael E Harding, Filippo Lipparini, Stella Stopkowicz, Thomas-Christian Jagau, Péter G Szalay, Jürgen Gauss, John F Stanton
Coupled-cluster techniques for computational chemistry: The CFOUR program package. The Journal of chemical physics 152 (21) (2020)
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, Francesco Paesani
A Many-Body, Fully Polarizable Approach to QM/MM Simulations. Journal of chemical theory and computation 16 (12) (2020)
Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, Filippo Lipparini, Benedetta Mennucci
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome. Physical chemistry chemical physics : PCCP 22 (16) (2020)
Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion. The journal of physical chemistry. B 124 (39) (2020)
Pierre-François Loos, Filippo Lipparini, Martial Boggio-Pasqua, Anthony Scemama, Denis Jacquemin
A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules. Journal of chemical theory and computation 16 (3) (2020)
Michele Nottoli, Filippo Lipparini
General formulation of polarizable embedding models and of their coupling. The Journal of chemical physics 153 (22) (2020)
Michele Nottoli, Benedetta Mennucci, Filippo Lipparini
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA. Physical chemistry chemical physics : PCCP 22 (35) (2020)
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? Physical chemistry chemical physics : PCCP 22 (26) (2020)
Sandra Brünken, Filippo Lipparini, Alexander Stoffels, Pavol Jusko, Britta Redlich, Jürgen Gauss, Stephan Schlemmer
Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging. The journal of physical chemistry. A 123 (37) (2019)
Michele Nottoli, Benjamin Stamm, Giovanni Scalmani, Filippo Lipparini
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model. Journal of chemical theory and computation 15 (11) (2019)
Gianluca Casotti, Gianluca Ciancaleoni, Filippo Lipparini, Chiara Nieri, Anna Iuliano
Uncatalyzed conjugate addition of organozinc halides to enones in DME: a combined experimental/computational study on the role of the solvent and the reaction mechanism. Chemical science 11 (1) (2019)
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, Michael J Frisch, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field. Journal of chemical theory and computation 15 (3) (2019)
Filippo Lipparini
General Linear Scaling Implementation of Polarizable Embedding Schemes. Journal of chemical theory and computation 15 (8) (2019)
Sijin Ren, Filippo Lipparini, Benedetta Mennucci, Marco Caricato
Coupled Cluster Theory with Induced Dipole Polarizable Embedding for Ground and Excited States. Journal of chemical theory and computation 15 (8) (2019)
Daniele Loco, Louis Lagardère, Gerardo Andrés Cisneros, Giovanni Scalmani, Michael Frisch, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chemical science 10 (30) (2019)
Paolo Gatto, Filippo Lipparini, Benjamin Stamm
Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigm. The Journal of chemical physics 147 (22) (2018)
Andrew Wildman, Greta Donati, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model. Journal of chemical theory and computation 15 (1) (2018)
Daniele Loco, Louis Lagardère, Stefano Caprasecca, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding. Journal of chemical theory and computation 13 (9) (2017)
Filippo Lipparini, Till Kirsch, Andreas Köhn, Jürgen Gauss
Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium. Journal of chemical theory and computation 13 (7) (2017)
Louis Lagardère, Luc-Henri Jolly, Filippo Lipparini, Félix Aviat, Benjamin Stamm, Zhifeng F Jing, Matthew Harger, Hedieh Torabifard, Gerardo Andrés Cisneros, Michael J Schnieders, Nohad Gresh, Yvon Maday, Pengyu Y Ren, Jay W Ponder, Jean-Philip Piquemal
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields. Chemical science 9 (4) (2017)
Janus J Eriksen, Filippo Lipparini, Jürgen Gauss
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit. The journal of physical chemistry letters 8 (18) (2017)
Greta Donati, Andrew Wildman, Stefano Caprasecca, David B Lingerfelt, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field. The journal of physical chemistry letters 8 (21) (2017)