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cond-mat.mtrl-sci2023
High-performance descriptor for magnetic materials: Accurate discrimination of magnetic structure
Michi-To Suzuki, Takuya Nomoto, Eiaki V. Morooka +2
The magnetic structure is crucial in determining the physical properties inherent in magnetic compounds. We present an adequate descriptor for magnetic structure with proper magnet…
cond-mat.mtrl-sci2023
Updates to the DScribe Library: New Descriptors and Derivatives
Jarno Laakso, Lauri Himanen, Henrietta Homm +4
We present an update of the DScribe package, a Python library for atomistic descriptors. The update extends DScribe's descriptor selection with the Valle-Oganov materials fingerpri…