PAGLIAI, MARCO
PAGLIAI, MARCO
Scuola Normale Superiore
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Risultati 1 - 5 di 5 (tempo di esecuzione: 0.004 secondi).
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics
2020-01-01 Mancini, G.; Del Galdo, S.; Chandramouli, B.; Pagliai, M.; Barone, V.
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution
2022-01-01 Barone, Vincenzo; Carnimeo, Ivan; Mancini, Giordano; Pagliai, Marco
Enhancing the Accuracy of Ab Initio Molecular Dynamics by Fine Tuning of Effective Two-Body Interactions: Acetonitrile as a Test Case
2021-01-01 Barbosa, N.; Pagliai, M.; Sinha, S.; Barone, V.; Alfe, D.; Brancato, G.
Fine-tuning of atomic point charges: classical simulations of pyridine in different environments
2017-01-01 Macchiagodena, Marina; Pagliai, Marco; Del Frate, Gianluca; Mancini, Giordano; Barone, Vincenzo
New atomistic model of pyrrole with improved liquid state properties and structure
2018-01-01 Macchiagodena, Marina; Mancini, Giordano; Pagliai, Marco; Cardini, Gianni; Barone, Vincenzo