Articles with "principles approach" as a keyword



First‐Principles Approach for Predicting Chiral Helimagnetism

Sign Up to like & get
recommendations!
Published in 2025 at "Advanced Functional Materials"

DOI: 10.1002/adfm.202501665

Abstract: Chiral helimagnets have attracted significant attention due to their unique spin textures, dynamics, and potential in next‐generation spintronic technologies. However, calculating helimagnetic properties accurately remains a challenge owing to the complexity of the helical spin… read more here.

Keywords: approach predicting; chiral helimagnetism; predicting chiral; principles approach ... See more keywords
Photo from academic.microsoft.com

A first‐principles approach for treating wastewaters

Sign Up to like & get
recommendations!
Published in 2020 at "International Journal of Quantum Chemistry"

DOI: 10.1002/qua.26501

Abstract: This research used the resources of the Supercomputing Laboratory at King Abdullah University of Science and Technology (KAUST) in Thuwal, Saudi Arabia. The authors thank Mr Xavier Pita, Scientific Illustrator at KAUST, for preparing Figure… read more here.

Keywords: treating wastewaters; chemistry; kaust; approach treating ... See more keywords

General First-Principles Approach to Crystals in Finite Magnetic Fields.

Sign Up to like & get
recommendations!
Published in 2025 at "Physical review letters"

DOI: 10.1103/74bb-qmp8

Abstract: We introduce a general first-principles methodology for computing electronic structure in a finite uniform magnetic field that allows for an arbitrary rational magnetic flux and nonlocal pseudopotentials at a comparable time complexity to conventional plane-wave… read more here.

Keywords: crystals finite; general first; principles approach; first principles ... See more keywords