Data mining for materials: Computational experiments with AB compounds

著录项

• 来源
  《Physical review》 |2012年第10期|p.104104.1-104104.10|共10页
• 作者

  Yousef Saad; Da Gao; Thanh Ngo; Scotty Bobbin; James R. Chelikowsky; Wanda Andreoni;

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• 作者单位

  Department of Computer Science & Engineering, University of Minnesota, Minneapolis, Minnesota 55455, USA;

  Department of Computer Science & Engineering, University of Minnesota, Minneapolis, Minnesota 55455, USA;

  Department of Computer Science & Engineering, University of Minnesota, Minneapolis, Minnesota 55455, USA;

  Department of Chemical Engineering, and Center for Computational Materials, Institute for Computational Engineering and Sciences,The University of Texas at Austin, Austin, Texas 78712, USA;

  Department of Chemical Engineering, and Center for Computational Materials, Institute for Computational Engineering and Sciences,The University of Texas at Austin, Austin, Texas 78712, USA;

  Centre Europeen de Calcul Atomique et Moleculaire (CECAM), Ecole Polytechnique Federale de Lausanne, Switzerland,Institut de Theories des Phenomenes Physiques, Ecole Polytechnique Federale de Lausanne, Switzerland;

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• 收录信息
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  theory of crystal structure, crystal symmetry; calculations and modeling; inorganic compounds; computer science and technology;

  机译：晶体结构理论;晶体对称性;计算和建模;无机化合物计算机科学与技术;