Synergistic computational and experimental discovery of novel magnetic materials

Balasubramanian, Balamurugan; Sakurai, Masahiro; Wang, Cai-Zhuang; Xu, Xiaoshan; Ho, Kai-Ming; Chelikowsky, James R.; Sellmyer, David J.

doi:10.1039/D0ME00050G

Synergistic computational and experimental discovery of novel magnetic materials

Journal Article · Mon Jul 13 04:00:00 EDT 2020 · Molecular Systems Design & Engineering

DOI:https://doi.org/10.1039/D0ME00050G· OSTI ID:1635120

^[1]; ^[2]; ^[3]; ^[1]; Ho, Kai-Ming ^[3]; Chelikowsky, James R. ^[2]; ^[1]

Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska, Lincoln, USA
Center for Computational Materials, Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, USA
Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University, Ames, USA

We review recent results on discoveries of new magnetic compounds by combining experiments, adaptive genetic algorithm searches, and advanced electronic-structure computational methods.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-04ER46152; AC02-07CH11358

OSTI ID:: 1635120

Journal Information:: Molecular Systems Design & Engineering, Journal Name: Molecular Systems Design & Engineering Journal Issue: 6 Vol. 5; ISSN MSDEBG; ISSN 2058-9689

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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