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
Michele NottoliUniversity of StuttgartVerified email at mathematik.uni-stuttgart.de
madayProfesseur de mathématiques appliquées, Université Pierre et Marie Curie, Laboratoire J.-L. LionsVerified email at ann.jussieu.fr
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
Stella StopkowiczFachrichtung Chemie, Universität des SaarlandesVerified email at uni-saarland.de
Michael J. FrischGaussian, Inc.Verified email at gaussian.com
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	559	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	235	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	176	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	167	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	136	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	131	2013
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, 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	112	2016
Perspective: Polarizable continuum models for quantum-mechanical descriptions F Lipparini, B Mennucci The Journal of chemical physics 144 (16), 2016	107	2016
Gaussian 16 Rev. C. 1 Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT, 2019	104	2019
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	99	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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