Error Control for Molecular Statics Problems

  title={Error Control for Molecular Statics Problems},
  author={Serge Prudhomme and Paul T. Bauman and J. Tinsley Oden},
In this paper, we present an extension of goal-oriented error estimation and adaptation to the simulation of multi-scale problems of molecular statics. Computable error estimates for the quasicontinuum method are developed with respect to specific quantities of interest and an adaptive strategy based upon these estimates is proposed for error control. The… CONTINUE READING