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Filippo Lipparini
Filippo Lipparini
Dipartimento di Chimica e Chimica Industriale, Università di Pisa
Verified email at unipi.it - Homepage
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Cited by
Year
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), 214108, 2020
1982020
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
1512018
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
1462012
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
1412010
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
1392011
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), 014106, 2010
1332010
A QM/MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations
D Loco, É Polack, S Caprasecca, L Lagardère, F Lipparini, JP Piquemal, ...
Journal of chemical theory and computation 12 (8), 3654-3661, 2016
1262016
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
1182012
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
922013
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
862020
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
772013
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
742017
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
742014
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
732016
Perspective: Polarizable continuum models for quantum-mechanical descriptions
F Lipparini, B Mennucci
The Journal of chemical physics 144 (16), 160901, 2016
732016
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
732012
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
602017
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
582020
Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy
F Lipparini, G Scalmani, L Lagardère, B Stamm, E Cancès, Y Maday, ...
The Journal of chemical physics 141 (18), 184108, 2014
542014
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications
F Lipparini, C Cappelli, V Barone
The Journal of chemical physics 138 (23), 234108, 2013
522013
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