Sfoglia per Autore
Vibrational dynamics of the I-3 radical: A semiempirical potential surface, and semiclassical calculation of the anion photoelectron spectrum
1999 C. J., Margulis; D. A., Horner; Bonella, Sara; D. F., Coker
A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics
2001 Bonella, Sara; D. F., Coker
Semi-classical implementation of mapping Hamiltonian methods for general non-adiabatic problems
2001 Bonella, Sara; D. F., Coker
Semiclassical implementation of the mapping Hamiltonian approach for nonadiabatic dynamics using focused initial distribution sampling
2003 Bonella, Sara; D. F., Coker
Linearized nonadiabatic dynamics in the adiabatic representation
2005 Bonella, Sara; D. F., Coker
Linearized time-dependent non-adiabatic quantum correlation functions
2005 Bonella, Sara; David, Coker
Linearized path integral approach for calculating nonadiabatic time correlation functions
2005 Bonella, Sara; D., Montemayor; D. F., Coker
LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism
2005 Bonella, Sara; D. F., Coker
Trajectory study of supercollision relaxation in highly vibrationally excited pyrazyne and CO2
2005 Li, Z; Sansom, R.; Bonella, Sara; Coker, D.; Mullin, A.
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
Linearized path integral methods for quantum time correlation functions
2006 D. F., Coker; Bonella, Sara
Winter Term visiting instructor
2006 Bonella, Sara
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.
HPC-Europa Visiting Fellow
2007 Bonella, Sara
Invited Professor
2007 Bonella, Sara
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
Iterative linearized approach to nonadiabatic dynamics
2008 E. R., Dunkel; Bonella, Sara; D. F., Coker
Trotter-based simulation of quantum-classical dynamics
2009 Bonella, Sara; D. F., Coker; D., MAC KERNAN; R., Kapral; Ciccotti, Giovanni
Modified single sweep method for reconstructing free-energy landscapes
2009 Monteferrante, Michele; Bonella, Sara; Meloni, S.; Ciccotti, Giovanni
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
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