2 papers
cond-mat.mtrl-sci2025
pynxtools: A Python framework for generating and validating NeXus files in experimental data workflows
Sherjeel Shabih, Lukas Pielsticker, Florian Dobener +19
Scientific data across physics, materials science, and materials engineering often lacks adherence to FAIR principles (Barker et al., 2022; Jacobsen et al., 2020; M. D. Wilkinson e…
cond-mat.mtrl-sci2024
High-throughput magnetic co-doping and design of exchange interactions in a topological insulator
Rubel Mozumder, Johannes Wasmer, David Antognini Silva +2
Using high-throughput automation of ab-initio impurity embedding simulations, we created a database of and transition metal defects embedded into the prototypical topolog…