Pseudopotentials for high-throughput DFT calculations

Garrity, K. F. / Bennett, J. W. / Rabe, K. M. et al. | British Library Online Contents | 2014

A high-throughput infrastructure for density functional theory calculations

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

The AFLOW standard for high-throughput materials science calculations

Calderon, C. E. / Plata, J. J. / Toher, C. et al. | British Library Online Contents | 2015

High-throughput electronic band structure calculations: Challenges and tools

Setyawan, W. / Curtarolo, S. | British Library Online Contents | 2010

High-throughput calculations of alloyed delafossite materials: Application to CuGa1−xFexO2

Haycock, B. J. / Kylee Rice, M. / Lewis, J. P. | British Library Online Contents | 2014