Banerjee, Amartya S.; Suryanarayana, Phanish Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures. (English) Zbl 1482.74135 J. Mech. Phys. Solids 96, 605-631 (2016). MSC: 74N15 74S20 PDFBibTeX XMLCite \textit{A. S. Banerjee} and \textit{P. Suryanarayana}, J. Mech. Phys. Solids 96, 605--631 (2016; Zbl 1482.74135) Full Text: DOI
Ponga, M.; Bhattacharya, K.; Ortiz, M. A sublinear-scaling approach to density-functional-theory analysis of crystal defects. (English) Zbl 1482.74052 J. Mech. Phys. Solids 95, 530-556 (2016). MSC: 74E15 PDFBibTeX XMLCite \textit{M. Ponga} et al., J. Mech. Phys. Solids 95, 530--556 (2016; Zbl 1482.74052) Full Text: DOI
Suryanarayana, Phanish; Gavini, Vikram; Blesgen, Thomas; Bhattacharya, Kaushik; Ortiz, Michael Non-periodic finite-element formulation of Kohn-Sham density functional theory. (English) Zbl 1193.81006 J. Mech. Phys. Solids 58, No. 2, 256-280 (2010). MSC: 81-08 65N30 81V55 PDFBibTeX XMLCite \textit{P. Suryanarayana} et al., J. Mech. Phys. Solids 58, No. 2, 256--280 (2010; Zbl 1193.81006) Full Text: DOI