Sfoglia per Autore
Molecular dynamics of microperoxidases in aqueous and nonaqueous solutions
1996 Melchionna, S; Barteri, M; Ciccotti, Giovanni
MD Simulation of rare events: calcualtion of rate constants
1996 Ciccotti, Giovanni; M., Ferrario
The semiclassical limit of the intermediate scattering function
1996 Bonella, S; Ciccotti, Giovanni; Coker, Df
Constant pressure molecular dynamics algorithms - Comment
1996 S., Melchionna; Ciccotti, Giovanni; B. L., Holian
Long time tails in two-dimensional fluids by MD
1997 M., Ferrario; A., Fiorino; Ciccotti, Giovanni
Atomic stress isobaric scaling for systems subjected to holonomic constraints
1997 Melchionna, S; Ciccotti, Giovanni
Intrinsic frame transport for a model of nematic liquid crystal
1997 S., Cozzini; L. F., Rull; Ciccotti, Giovanni; G. V., Paolini
Cu++ and Li+ interaction with polyethylene oxide by ab initio molecular dynamics
1998 Palma, A; Pasquarello, A; Ciccotti, Giovanni; Car, R.
Structural and dynamic properties of the homodimeric hemoglobin from Scapharca inaequivalvis Thr-72 -> IIe mutant: Molecular dynamics simulation, low temperature visible absorption spectroscopy, and resonance Raman spectroscopy studies
1998 Falconi, M; Desideri, A; Cupane, A; Leone, M; Ciccotti, Giovanni; Peterson, Es; Friedman, Jm; Gambacurta, A; Ascoli, F.
Free energy from constrained molecular dynamics
1998 Michiel, Sprik; Ciccotti, Giovanni
Mixed quantum-classical dynamics
1999 Raymond, Kapral; Ciccotti, Giovanni
Wigner approach to the semiclassical dynamics of a quantum many-body system: the dynamic scattering function of He-4
1999 Ciccotti, Giovanni; C., Pierleoni; F., Capuani; V. S., Filinov
Rare events by constrained molecular dynamics
2000 Ciccotti, Giovanni; M., Ferrario
Hydration of beta-cyclodextrin: A molecular dynamics simulation study
2000 R. G., Winkler; S., Fioravanti; Ciccotti, Giovanni; C., Margheritis; M., Villa
Non-adiabatic dynamics in mixed quantum-classical systems
2000 Nielsen, S; Kapral, R; Ciccotti, Giovanni
Mixed quantum-classical surface hopping dynamics
2000 Steve, Nielsen; Raymond, Kapral; Ciccotti, Giovanni
Brownian dynamics with constraints
2001 Toby O., White; Ciccotti, Giovanni; Jean Pierre, Hansen
Flux expressions and NEMD perturbations for models of semi-flexible molecules
2001 A., Perronace; J. M., Simon; B., Rousseau; Ciccotti, Giovanni
Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems
2001 Mark E., Tuckerman; Yi, Liu; Ciccotti, Giovanni; Glenn J., Martyna
Statistical mechanics of quantum-classical systems
2001 Steve, Nielsen; Raymond, Kapral; Ciccotti, Giovanni
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