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Filippo Lipparini
Filippo Lipparini
Dipartimento di Chimica e Chimica Industriale, Università di Pisa
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Zitiert von
Zitiert von
Jahr
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
5612020
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
2362018
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
1922020
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
1922016
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
1772010
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
1772010
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
1682020
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
1672011
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
1452012
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
1362021
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
1322013
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
1142016
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
1122017
Perspective: Polarizable continuum models for quantum-mechanical descriptions
F Lipparini, B Mennucci
The Journal of chemical physics 144 (16), 2016
1072016
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
1042016
Gaussian 16 Rev. C. 1 Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT, 2019
1012019
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
1002013
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
942014
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
882012
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