Abraham, F. F. (2003). How fast can cracks move? A research adventure in materials failure using millions of atoms and big computers. Ad?. Phys., 52, 727 90.

Abraham, F. F., Walkup, R., Gao. H. et al. (2002). Simulating materials failure by using up to one billion atoms and the world s fastest computer: work-hardening. Proc. Natl. Acad. Sci., 99, 5783 7.

Abramowitz, M. and Stegun, I. A. (1965). Handbook of Mathematical Functions. New York, Dover Publ.

Adelman, S. A. and Doll, J. D. (1974). Generalized Langevin equation approach for atom/solid-surface scattering: Collinear atom/atomic chain model. J. Chem. Phys., 61, 4242 5.

Ahlstr m, P., Wallqvist, A., Engstr m, S. and J nsson, B. (1989). A molecular dynamics study of polarizable water. Mol. Phys., 68, 563 81.

Allen, M. P. and Tildesley, D. J. (1987). Computer Simulation of Liquids. Oxford, Clarendon Press.

Altman, S. L. (1986). Rotations, Quaternions and Double Groups. Oxford, Clarendon Press.

Amadei, A., Linssen, A. B. M. and Berendsen, H. J. C. (1993). Essential dynamics of proteins. Proteins, 17, 412 25.

Amadei,A., Chillemi, G., Ceruso, M., Grottesi, A. and Di Nola, A. (2000). Molecular dynamics simulations with constrained roto-translational motions: theoretical basis and statistical mechanical consistency. J. Chem. Phys., 112, 9 23.

Andersen, H. C. (1980). Molecular dynamics simulations at constant pressure and/or temperature. J. Chem. Phys., 72, 2384 93.

Andersen, H. C. (1983). Rattle: a velocity version of the Shake algorithm for molecular dynamics calculations. J. Comput. Phys., 52