A new handshaking of Tight-Binding and Molecular Dynamics in multi-scale simulation L. S. Pan, X. H. Wu, D. Xu, C. Lu and H. P. Lee Eur. Phys. J. B, 52 2 (2006) 155-162 Published online: 11 July 2006 DOI: 10.1140/epjb/e2006-00283-9