Nanda Kambhatla
ACL 2004
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.
Nanda Kambhatla
ACL 2004
Beomseok Nam, Henrique Andrade, et al.
ACM/IEEE SC 2006
Lerong Cheng, Jinjun Xiong, et al.
ASP-DAC 2008
Rafae Bhatti, Elisa Bertino, et al.
Communications of the ACM