Synergistic computational and experimental discovery of novel magnetic materials
Balamurugan Balasubramanian, Masahiro Sakurai, Cai‐Zhuang Wang, Xiaoshan Xu, Kai-Ming Ho, James R. Chelikowsky, D. J. Sellmyer
Abstract
We review recent results on discoveries of new magnetic compounds by combining experiments, adaptive genetic algorithm searches, and advanced electronic-structure computational methods.
Topics & Concepts
Computer scienceComputational modelComputational biologyArtificial intelligenceBiologyMachine Learning in Materials ScienceMagnetic and transport properties of perovskites and related materialsX-ray Diffraction in Crystallography