Global optimization of anisotropy in antiferromagnets

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There is a growing need for antiferromagnetic materials, for example in spintronics and data storage applications. Key to the practical application of antiferromagnets is anisotropy, yet the fundamental cause of anisotropy is not fully understood, and there is a need for new materials with higher anisotropy for new applications. In this project, we will use global optimization methods, developed for finding new crystal structures, and apply this to the search for new antiferromagnets. This will involve the development of new ideas for the cause of anisotropy, new ways of calculating it, and new code to put these ideas into practice.