Simultaneous Prediction of the Magnetic and Crystal Structure of Materials Using a Genetic Algorithm

Higgins, Edward James, Hasnip, Philip James orcid.org/0000-0002-4314-4093 and Probert, Matthew Ian James orcid.org/0000-0002-1130-9316 (2019) Simultaneous Prediction of the Magnetic and Crystal Structure of Materials Using a Genetic Algorithm. Crystals. 439. ISSN 2073-4352

Abstract

Metadata

Authors/Creators:
Copyright, Publisher and Additional Information: © 2019, The Author(s).
Keywords: STRUCTURE PREDICTION,half-Heusler alloy,Heusler alloy,magnetic Lennard–Jones,structural fingerprint,DFT,ab initio,global optimisation,GENETIC ALGORITHM,magnetic materials
Dates:
  • Published: 23 August 2019
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 16 Sep 2019 08:10
Last Modified: 12 May 2020 23:25
Published Version: https://doi.org/10.3390/cryst9090439
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.3390/cryst9090439

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Filename: Crystals_2019.pdf

Description: Crystals_2019

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