8 citations · 8 across the 1 of their papers we have counts for
4 papers
Electronic structure of InAs and InSb surfaces: density functional theory and angle-resolved photoemission spectroscopy
Shuyang Yang, Niels B. M. Schröter, Sergej Schuwalow +10
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study…
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance
Sebastiaan. P. Huber, Spyros Zoupanos, Martin Uhrin +19
The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developm…
Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…
Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations
Dominik Gresch, QuanSheng Wu, Georg W. Winkler +3
Wannier tight-binding models are effective models constructed from first-principles calculations. As such, they bridge a gap between the accuracy of first-principles calculations a…