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Piero Lafiosca
Piero Lafiosca
Chemistry
Polarizability
QM/MM
Molecular mechanics
Materials science
7
Papers
141
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Fully Atomistic Modeling of Realistic Plasmonic Materials: Assessing the Performance of Iterative Solvers.
2021
arXiv: Computational Physics
Piero Lafiosca
Tommaso Giovannini
Michele Benzi
Chiara Cappelli
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A polarizable three-layer frozen density embedding/molecular mechanics approach.
2021
Journal of Chemical Physics
Franco Egidi
Sara Angelico
Piero Lafiosca
Tommaso Giovannini
Chiara Cappelli
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Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures.
2021
Journal of Physical Chemistry C
Piero Lafiosca
Tommaso Giovannini
Michele Benzi
Chiara Cappelli
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Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
2019
International Journal of Quantum Chemistry
Tommaso Giovannini
Marina Macchiagodena
Matteo Ambrosetti
Alessandra Puglisi
Piero Lafiosca
Giulia Lo Gerfo
Franco Egidi
Chiara Cappelli
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Citations (28)
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects
2019
Journal of Chemical Physics
Tommaso Giovannini
Piero Lafiosca
Balasubramanian Chandramouli
Vincenzo Barone
Chiara Cappelli
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A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches
2017
Journal of Chemical Theory and Computation
Tommaso Giovannini
Piero Lafiosca
Chiara Cappelli
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Citations (46)
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