Now showing items 1-2 of 2
An efficient multigrid strategy for large-scale molecular mechanics optimization
(Journal of Computational Physics, 2017-08-01)
Static mechanical properties of materials require large-scale nonlinear optimization of the molecular mechanics model under various controls. This paper presents an efficient multigrid strategy to solve such problems. This ...
An atomistic/continuum coupling method using enriched bases
(Multiscale Modeling and Simulation, 2015-12-31)
A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to ...