MOSCATO, DAVIDE
MOSCATO, DAVIDE
Dipartimento di Chimica
Semiclassical description of nuclear quantum effects in solvated and condensed phase molecular systems
2025 R. Conte, G. Mandelli, G. Botti, D. Moscato, C. Lanzi, M. Cazzaniga, C. Aieta, M. Ceotto
SEMICLASSICAL MOLECULAR DYNAMICS OF ADIABATIC AND NONADIABATIC PROCESSES
2025 D. Moscato
A time averaged semiclassical approach to the computation of nonadiabatic vibronic absorption spectra Available
2025 D. Moscato, M. Gandolfi, M. Ceotto
Quantum dynamics through a handful of semiclassical trajectories
2025 C. Aieta, M. Cazzaniga, D. Moscato, C. Lanzi, L. Bocchi, M.M. Costanza, M. Ceotto, R. Conte
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web‐Platform
2025 R. Conte, M. Gandolfi, D. Moscato, C. Aieta, S. Valtolina, M. Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024 D. Moscato, G. Mandelli, M. Bondanza, F. Lipparini, R. Conte, B. Mennucci, M. Ceotto
A web platform for time averaged Fourier transform of autocorrelated data
2024 M. Gandolfi, D. Moscato, C. Aieta, M. Pindaro, E. Campana, S. Valtolina, M. Ceotto
Semiclassical vibrational spectroscopy from small molecules to solvated biomolecules
2023 R. Conte, C. Lanzi, G. Botti, G. Mandelli, D. Moscato, C. Aieta, M. Ceotto
From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems
2023 D. Moscato, R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, M. Ceotto
Anharmonicity and quantum nuclear effects in theoretical vibrational spectroscopy: A molecular tale of two cities
2023 R. Conte, C. Aieta, G. Botti, M. Cazzaniga, M. Gandolfi, C. Lanzi, G. Mandelli, D. Moscato, M. Ceotto
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
2023 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Vibrational spectroscopy simulation of solvation effects on the g-quadruplex
2022 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Implementations of Semiclassical Approximations for Spectroscopic and Vibrational Eigenfunction Calculations
2022 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, D. Moscato, C. Lanzi, M. Ceotto
Quasiclassical vibrational spectroscopy of the g-Quadruplex With Empirical Force Fields
2022 D. Moscato, F. Gabas, R. Conte, M. Ceotto
Semiclassical Molecular Dynamics for Spectroscopy
2022 R. Conte, C. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, G. DI LIBERTO, M. Micciarelli, D. Moscato, C. Lanzi, M. Ceotto
Semiclassical Molecular Dynamics as a useful tool for Nuclear Spectroscopy
2022 R. Conte, C. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto
Semiclassical Initial Value Representation Molecular Dynamics for Spectroscopy
2021 R. Conte, C.D. Aieta, F. Gabas, G. Bertaina, M. Cazzaniga, A. Rognoni, M. Gandolfi, G. Botti, G. Mandelli, D. Moscato, C. Lanzi, M. Ceotto