Quasicontinuum Method

Atomic-to-Continuum Multiscale Modeling of Defects in Crystals with Nonlocal Electrostatic Interactions
This work develops a multiscale modeling framework for defects in crystals with general geometries and boundary conditions in which …
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Coarse Graining of Electric Field Interactions With Materials
In this work, we present our continuum limit calculations of electrical interactions in ionic crystals and dielectrics. Continuum limit …
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