Filippo Lipparini

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Benedetta MennucciDepartment of Chemistry, University of PisaVerified email at dcci.unipi.it
Benjamin StammUniversity of StuttgartVerified email at ians.uni-stuttgart.de
Jürgen GaussProfessor of theoretical chemistry, Johannes Gutenberg-Universität MainzVerified email at uni-mainz.de
Louis LagardèreSorbonne UniversitéVerified email at sorbonne-universite.fr
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéVerified email at sorbonne-universite.fr
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreVerified email at sns.it
Lorenzo CupelliniDipartimento di Chimica e Chimica Industriale, Università di PisaVerified email at unipi.it
madayProfesseur de mathématiques appliquées, Université Pierre et Marie Curie, Laboratoire J.-L. LionsVerified email at ann.jussieu.fr
Michele NottoliUniversity of StuttgartVerified email at mathematik.uni-stuttgart.de
Eric CANCESEcole des Ponts ParisTech and INRIAVerified email at cermics.enpc.fr
Giovanni ScalmaniGaussian, Inc.Verified email at gaussian.com
Chiara CappelliScuola Normale SuperioreVerified email at sns.it
Michael J. FrischGaussian, Inc.Verified email at gaussian.com
Stella StopkowiczFachrichtung Chemie, Universität des SaarlandesVerified email at uni-saarland.de
Julien BloinoScuola Normale SuperioreVerified email at sns.it
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinVerified email at mail.utexas.edu
Michael J. SchniedersProfessor of Biomedical Engineering and Biochemistry, The University of IowaVerified email at uiowa.edu
Stefano CapraseccaVerizon ConnectVerified email at verizonconnect.com
Étienne PolackCERMICS – Centre d'Enseignement et de Recherche en Mathématiques et Calcul ScientifiqueVerified email at hollved.net
daniele locoR&D Engineer, Qubit PharmaceuticalsVerified email at qubit-pharmaceuticals.com

Filippo Lipparini

Dipartimento di Chimica e Chimica Industriale, Università di Pisa

Verified email at unipi.it - Homepage

Theoretical Chemistry


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Coupled-cluster techniques for computational chemistry: The CFOUR program package DA Matthews, L Cheng, ME Harding, F Lipparini, S Stopkowicz, TC Jagau, ... The Journal of Chemical Physics 152 (21), 2020	512	2020
Gaussian 16 Rev. C. 1 Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT, 2019	334*	2019
Gaussian16; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2016	270	2016
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields L Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ... Chemical science 9 (4), 956-972, 2018	222	2018
A QM/MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations D Loco, É Polack, S Caprasecca, L Lagardere, F Lipparini, JP Piquemal, ... Journal of chemical theory and computation 12 (8), 3654-3661, 2016	183	2016
A mountaineering strategy to excited states: Highly accurate energies and benchmarks for medium sized molecules PF Loos, F Lipparini, M Boggio-Pasqua, A Scemama, D Jacquemin Journal of Chemical Theory and Computation 16 (3), 1711-1741, 2020	176	2020
A fully automated implementation of VPT2 Infrared intensities V Barone, J Bloino, CA Guido, F Lipparini Chemical Physics Letters 496 (1-3), 157-161, 2010	172	2010
A variational formulation of the polarizable continuum model F Lipparini, G Scalmani, B Mennucci, E Cancès, M Caricato, MJ Frisch The Journal of chemical physics 133 (1), 2010	169	2010
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012	167	2012
Polarizable force fields and polarizable continuum model: A fluctuating charges/PCM approach. 1. Theory and implementation F Lipparini, V Barone Journal of chemical theory and computation 7 (11), 3711-3724, 2011	163	2011
Polarizable embedding QM/MM: the future gold standard for complex (bio) systems? M Bondanza, M Nottoli, L Cupellini, F Lipparini, B Mennucci Physical Chemistry Chemical Physics 22 (26), 14433-14448, 2020	150	2020
Linear response theory and electronic transition energies for a fully polarizable QM/classical hamiltonian F Lipparini, C Cappelli, V Barone Journal of chemical theory and computation 8 (11), 4153-4165, 2012	141	2012
QUESTDB: A database of highly accurate excitation energies for the electronic structure community M Véril, A Scemama, M Caffarel, F Lipparini, M Boggio‐Pasqua, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1517, 2021	129	2021
Fast domain decomposition algorithm for continuum solvation models: Energy and first derivatives F Lipparini, B Stamm, E Cances, Y Maday, B Mennucci Journal of chemical theory and computation 9 (8), 3637-3648, 2013	127	2013
Gaussian Development Version Revision J. 06+ MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc., Wallingford CT, 2020	110	2020
Hybrid QM/MM molecular dynamics with AMOEBA polarizable embedding D Loco, L Lagardère, S Caprasecca, F Lipparini, B Mennucci, ... Journal of chemical theory and computation 13 (9), 4025-4033, 2017	108	2017
Perspective: Polarizable continuum models for quantum-mechanical descriptions F Lipparini, B Mennucci The Journal of chemical physics 144 (16), 2016	104	2016
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields EG Kratz, AR Walker, L Lagardère, F Lipparini, JP Piquemal, ... Journal of computational chemistry 37 (11), 1019-1029, 2016	100	2016
The optical rotation of methyloxirane in aqueous solution: a never ending story? F Lipparini, F Egidi, C Cappelli, V Barone Journal of Chemical Theory and Computation 9 (4), 1880-1884, 2013	98	2013
Gaussian 16, Revision C. 01. Gaussian, Inc., Wallingford CT. 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2016	96	2016

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