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Cluster expansions of multicomponent ionic materials: Formalism and methodology

Luis Barroso-Luque*, Peichen Zhong, Julia H. Yang, Fengyu Xie, Tina Chen, Bin Ouyang, and Gerbrand Ceder†

  • Department of Materials Science and Engineering, University of California, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

  • *lbluque@berkeley.edu
  • †gceder@berkeley.edu

Approaches for handling high-dimensional cluster expansions of ionic systems

Julia H. Yang, Tina Chen, Luis Barroso-Luque, Zinab Jadidi, and Gerbrand Ceder

npj Comput Mater 8 133 (2022)

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