The goal of our workshop is to bring together a group of scientists to understand and quantify the limits in AtomistictoContinuum (AtC) coupling and the resulting impact on multiscale simulations. AtC coupling has emerged as a critical component in computational materials science and other applications of interest to the DOE Office of Science. Past research in AtC model and algorithm development has been primarily driven by applications and has paid off in the formulation of procedures that address specific applications. This previous research has also begun to lead to some degree of generalization. However, much less effort has been directed at the fundamental mechanics and/or mathematical theory of AtC methods. For example, a rigorous mechanical formulation, and error, stability, convergence analysis and uncertainty quantification of coupling atomistic and continuum models is lacking. As a result, a mathematical and mechanical framework that can provide a unified theoretical foundation for the formulation, analysis, and implementation of AtC coupling methods is an important open problem. The goal of our workshop is to understand and quantify the limits in AtC coupling and the resulting impact on multiscale simulations. In particular, the following questions serve to focus the workshop:
Organizing Committee:
Researchers Discuss AtomistictoContinuum
(AtC) Coupling

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and financial support is provided by the Computer Science Research
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