Filippo Lipparini

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

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Filippo Lipparini

Dipartimento di Chimica e Chimica Industriale, Università di Pisa

Adresse e-mail validée de unipi.it - Page d'accueil

Theoretical Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	561	2020
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	236	2018
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	192	2020
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	192	2016
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	177	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	177	2010
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	170	2020
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	167	2011
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	145	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	137	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	132	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	114	2016
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	112	2017
Gaussian 16 Rev. C. 1 Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT, 2019	110	2019
Perspective: Polarizable continuum models for quantum-mechanical descriptions F Lipparini, B Mennucci The Journal of chemical physics 144 (16), 2016	107	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	104	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	100	2013
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: I. toward massively parallel direct space computations F Lipparini, L Lagardère, B Stamm, E Cancès, M Schnieders, P Ren, ... Journal of Chemical Theory and Computation 10 (4), 1638-1651, 2014	94	2014
Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone Journal of Chemical Theory and Computation 8 (11), 4270-4278, 2012	88	2012

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