A high-throughput infrastructure for density functional theory calculations

Jain, A. / Hautier, G. / Moore, C. J. et al. | British Library Online Contents | 2011

Physical properties of high-pressure scheelite YVO4 from density functional calculations

Huang, Z. / Zhang, L. / Feng, J. et al. | British Library Online Contents | 2013

High-pressure structural and electronic behaviors of superhard BC5: Density functional calculations

Zhang, J. D. / Cheng, X. L. | British Library Online Contents | 2011

Dopant-defect interactions in Ge: Density functional theory calculations

Chroneos, A. | British Library Online Contents | 2012

Accurate and efficient band-offset calculations from density functional theory

Weston, L. / Tailor, H. / Krishnaswamy, K. et al. | British Library Online Contents | 2018