First-principles calculation of optical responses based on nonorthogonal localized orbitals

Nonreciprocal responses from non-centrosymmetric quantum materials

(2018) Yoshinori Tokura et al.   Nature Communications

Julia: A Fresh Approach to Numerical Computing

(2017) Jeff Bezanson et al.   SIAM REVIEW

Shift current bulk photovoltaic effect in polar materials—hybrid and oxide perovskites and beyond

(2016) Liang Z Tan et al.   npj Computational Materials

An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

(2014) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS

Wannier-based calculation of the orbital magnetization in crystals

(2012) M. G. Lopez et al.   PHYSICAL REVIEW B

First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics

(2012) Steve M. Young et al.   PHYSICAL REVIEW LETTERS

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS