Apostol Natsev, Alexander Haubold, et al.
MMSP 2007
A challenging paradigm in computational sciences is the coupling of the continuum, the atomistic, and the quantum descriptions of matter for a unified dynamic treatment of a single physical problem. We described the recent achievement of such a goal. We have spanned the length scales in a concerted simulation comprising the finite-element method, classical molecular dynamics, quantum tight-binding dynamics and seamless bridges between these different physical descriptions. We illustrate and validate the methodology for rapid crack propagation in silicon.
Apostol Natsev, Alexander Haubold, et al.
MMSP 2007
Raghu Krishnapuram, Krishna Kummamuru
IFSA 2003
John M. Boyer, Charles F. Wiecha
DocEng 2009
Oliver Bodemer
IBM J. Res. Dev