Robert C. Durbeck
IEEE TACON
A challenging paradigm in the 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 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 crack propagation in silicon.
Robert C. Durbeck
IEEE TACON
Thomas M. Cheng
IT Professional
Oliver Bodemer
IBM J. Res. Dev
Raymond F. Boyce, Donald D. Chamberlin, et al.
CACM