Filippo Lipparini

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

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Filippo Lipparini

Dipartimento di Chimica e Chimica Industriale, Università di Pisa

Email verificata su unipi.it - Home page

Theoretical Chemistry


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	540	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	224	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	187	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	186	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	174	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	170	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	164	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	155	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	142	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	132	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
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	109	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	102	2016
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	98	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
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	93	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	87	2012
Virtual orbital many-body expansions: A possible route towards the full configuration interaction limit JJ Eriksen, F Lipparini, J Gauss The Journal of Physical Chemistry Letters 8 (18), 4633-4639, 2017	79	2017

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