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Filippo Lipparini
Filippo Lipparini
Dipartimento di Chimica e Chimica Industriale, Università di Pisa
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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
5402020
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
2242018
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
1872016
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
1862020
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
1742010
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
1702010
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
1672012
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
1642011
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
1552020
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
1422012
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
1322021
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
1272013
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
1092017
Perspective: Polarizable continuum models for quantum-mechanical descriptions
F Lipparini, B Mennucci
The Journal of chemical physics 144 (16), 2016
1042016
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
1022016
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
982016
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
982013
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
932014
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
872012
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
792017
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20