Research Activities > Programs > Quantum-Classical Modeling of Chemical Phenomena

Quantum-Classical Modeling of Chemical Phenomena

CSIC Building (#406), Seminar Room 4122.

Understanding of quasicontinuum method

Pingbing Ming

Chinese Academy of Sciences

Abstract:   In this talk, I will report some recent progress in the mathematically understanding of quasicontinuum method (QC), which is among the most successful multiscale methods for modeling the mechanical deformation of solids. In particular, I will focus on the two-dimensional case that is less explored so far. The accuracy of QC will be discussed in the framework of the classical numerical analysis together with the results in the understanding of the Cauchy-Born rule that bridges the atomistic model and continuum model of the crystalline solids. We shall also discuss the extension and limitation of this framework. This work is supported by National Natural Science Foundation of China under the grant 10871197, 10932011 and the National Basic Research Program under the grant 2005CB321704.

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