BONELLA, SARA

BONELLA, SARA  

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Titolo Data di pubblicazione Autore(i) File
A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics 2001 Bonella, Sara; D. F., Coker
A statistical mechanics handbook for protein-ligand binding simulation 2013 Walter, Rocchia; Bonella, Sara
An adiabatic linearized path integral approach for quantum time functions: Electronic transport in metal-molten salt solutions 2005 Causo, Ms; Ciccotti, Giovanni; Montemayor, D; Bonella, Sara; Coker, Df
An adiabatic linearized path integral approach for quantum time-correlation functions II: A cumulant expansion method for improving convergence 2006 Causo, Ms; Ciccotti, Giovanni; Bonella, Sara; Vuilleumier, R.
Analysis of the quantum-classical Liouville equation in the mapping basis 2010 Ali, Nassimi; Bonella, Sara; Raymond, Kapral
Approximating Time-Dependent Quantum Statistical Properties 2014 Bonella, Sara; Giovanni, Ciccotti
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 2009 Monteferrante, Michele; Bonella, Sara; Meloni, Simone; Vanden-eijnden, Eric; Ciccotti, Giovanni
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 2008 Monteferrante, Michele; Bonella, Sara; Meloni, Simone; E., VANDEN EIJNDEN; Ciccotti, Giovanni
Charge transport simulations of NaCl in an external magnetic field: the quest for the Hall effect 2013 F., Mouhat; Bonella, Sara; C., Pierleoni
Early stage of the dehydrogenation of NaAlH 4 by ab initio rare event simulations 2012 Fabio, Sterpone; Bonella, Sara; Meloni, Simone
Gas phase infrared spectra via the phase integration quasi-classical method 2014 J., Beutier; Michele, Monteferrante; Bonella, Sara; Rodolphe, Vuilleumier; Ciccotti, Giovanni
HPC-Europa Visiting Fellow 2007 Bonella, Sara
Hydration Structure of the Quaternary Ammonium Cations 2010 Wojtek Iwo, Babiaczyk; Bonella, Sara; Leonardo, Guidoni; Ciccotti, Giovanni
Invited Professor 2007 Bonella, Sara
Iterative linearized approach to nonadiabatic dynamics 2008 E. R., Dunkel; Bonella, Sara; D. F., Coker
LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism 2005 Bonella, Sara; D. F., Coker
Linearization approximations and Liouville quantum-classical dynamics 2010 Bonella, Sara; Ciccotti, Giovanni; Raymond, Kapral
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
Linearized nonadiabatic dynamics in the adiabatic representation 2005 Bonella, Sara; D. F., Coker
Linearized path integral approach for calculating nonadiabatic time correlation functions 2005 Bonella, Sara; D., Montemayor; D. F., Coker