Publications by authors named "Piero Lafiosca"

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GW Approximation Coupled with Classical Fluctuating Charges and Dipoles.
Giovanni Nottoli, Piero Lafiosca, Frank Ernesto Quintela Rodríguez, Franco Egidi, Arno Förster

J Chem Theory Comput· December 2025

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Modeling infrared and vibrational circular dichroism spectra of complex systems: the DFTB/fluctuating charges route.
Piero Lafiosca, Sara Gómez, Luca Melega, Tommaso Giovannini, Chiara Cappelli

Phys Chem Chem Phys· May 2025

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Mixed atomistic-implicit quantum/classical approach to molecular nanoplasmonics.
Pablo Grobas Illobre, Piero Lafiosca, Luca Bonatti, Tommaso Giovannini, Chiara Cappelli

J Chem Phys· January 2025

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Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach.
Chiara Sepali, Linda Goletto, Piero Lafiosca, Matteo Rinaldi, Tommaso Giovannini

J Chem Theory Comput· November 2024

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Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles.
Luca Nicoli, Sveva Sodomaco, Piero Lafiosca, Tommaso Giovannini, Chiara Cappelli

ACS Phys Chem Au· November 2024

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Modeling UV/Vis Absorption Spectra of Food Colorants in Solution: Anthocyanins and Curcumin as Case Studies.
Sara Gómez, Piero Lafiosca, Tommaso Giovannini

Molecules· September 2024

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Multiscale modeling of surface enhanced fluorescence.
Pablo Grobas Illobre, Piero Lafiosca, Teresa Guidone, Francesco Mazza, Tommaso Giovannini

Nanoscale Adv· June 2024

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Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution.
Chiara Sepali, Piero Lafiosca, Sara Gómez, Tommaso Giovannini, Chiara Cappelli

Spectrochim Acta A Mol Biomol Spectrosc· January 2024

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Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems.
Piero Lafiosca, Federico Rossi, Franco Egidi, Tommaso Giovannini, Chiara Cappelli

J Chem Theory Comput· January 2024

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QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models.
Piero Lafiosca, Luca Nicoli, Luca Bonatti, Tommaso Giovannini, Stefano Corni

J Chem Theory Comput· June 2023

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Correction to "Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures".
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli

J Phys Chem C Nanomater Interfaces· March 2023

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UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA.
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli

J Chem Inf Model· February 2023

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Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
Tommaso Giovannini, Luca Bonatti, Piero Lafiosca, Luca Nicoli, Matteo Castagnola

ACS Photonics· September 2022

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Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach.
Piero Lafiosca, Sara Gómez, Tommaso Giovannini, Chiara Cappelli

J Chem Theory Comput· March 2022

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Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures.
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli

J Phys Chem C Nanomater Interfaces· November 2021

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A polarizable three-layer frozen density embedding/molecular mechanics approach.
Franco Egidi, Sara Angelico, Piero Lafiosca, Tommaso Giovannini, Chiara Cappelli

J Chem Phys· April 2021

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Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects.
Tommaso Giovannini, Piero Lafiosca, Balasubramanian Chandramouli, Vincenzo Barone, Chiara Cappelli

J Chem Phys· March 2019

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Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution.
Tommaso Giovannini, Gianluca Del Frate, Piero Lafiosca, Chiara Cappelli

Phys Chem Chem Phys· April 2018

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A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches.
Tommaso Giovannini, Piero Lafiosca, Chiara Cappelli

J Chem Theory Comput· October 2017

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