Sfoglia per Autore
Path integral based calculations of symmetrized time correlation functions. II
2010 Bonella, Sara; Monteferrante, Michele; Carlo, Pierleoni; Ciccotti, Giovanni
Path integral based calculations of symmetrized time correlation functions. I.
2010 Bonella, Sara; Monteferrante, Michele; Carlo, Pierleoni; Ciccotti, Giovanni
Linearization approximations and Liouville quantum-classical dynamics
2010 Bonella, Sara; Ciccotti, Giovanni; Raymond, Kapral
Hydration Structure of the Quaternary Ammonium Cations
2010 Wojtek Iwo, Babiaczyk; Bonella, Sara; Leonardo, Guidoni; Ciccotti, Giovanni
Linearized approximations for condensed phase non-adiabatic dynamics: Multi-layered baths and Brownian dynamics implementation
2010 P., Huo; Bonella, Sara; L., Chen; D. F., Coker
Analysis of the quantum-classical Liouville equation in the mapping basis
2010 Ali, Nassimi; Bonella, Sara; Raymond, Kapral
Short range hydrogen diffusion in Na3AlH6
2011 Monteferrante, Michele; Bonella, Sara; Ciccotti, Giovanni
Linearized symmetrized quantum time correlation functions calculation via phase pre-averaging
2011 M., Monteferrante; Bonella, Sara; Ciccotti, Giovanni
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6.
2012 Adolfo, Poma; Michele, Monteferrante; Bonella, Sara; Ciccotti, Giovanni
Theory and methods for rare events
2012 Bonella, Sara; Ciccotti, Giovanni
Silver self aggregation in a nanodevice for enhanced Raman spectroscopy: Experiments vs. simplified modeling via molecular dynamics
2012 Wojciech Iwo, Babiaczyk; Bonella, Sara; Ciccotti, Giovanni; Maria Laura, Coluccio; Francesco, Gentile; Enzo Di, Fabrizio
Early stage of the dehydrogenation of NaAlH 4 by ab initio rare event simulations
2012 Fabio, Sterpone; Bonella, Sara; Meloni, Simone
Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect
2013 F., Mouhat; Bonella, Sara; C., Pierleoni
Quantum dynamical structure factor of liquid neon via a quasiclassical symmetrized method
2013 Monteferrante, Michele; Bonella, Sara; Ciccotti, Giovanni
A statistical mechanics handbook for protein-ligand binding simulation
2013 Walter, Rocchia; Bonella, Sara
Gas phase infrared spectra via the phase integration quasi-classical method
2014 J., Beutier; Michele, Monteferrante; Bonella, Sara; Rodolphe, Vuilleumier; Ciccotti, Giovanni
Approximating Time-Dependent Quantum Statistical Properties
2014 Bonella, Sara; Giovanni, Ciccotti
Mapping the hydropathy of amino acids based on their local solvation structure
2014 Bonella, Sara; Raimondo, Domenico; Milanetti, Edoardo; Tramontano, Anna; Ciccotti, Giovanni; *These authors contributed equally to the, Work
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