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    • 7. 发明申请
    • Systems and methods for predicting materials properties
    • 用于预测材料性能的系统和方法
    • US20060074594A1
    • 2006-04-06
    • US11122942
    • 2005-05-04
    • Gerbrand CederChris FischerKevin TibbettsDane MorganStefano Curtarolo
    • Gerbrand CederChris FischerKevin TibbettsDane MorganStefano Curtarolo
    • G01N33/00
    • G06F19/704G06F19/707
    • Systems and methods for predicting features of materials of interest. Reference data are analyzed to deduce relationships between the input data sets and output data sets. Reference data comprises measured values and/or computed values. The deduced relationships can be specified as equations, correspondences, and/or algorithmic processes that produce appropriate output data when suitable input data is used. In some instances, the output data set is a subset of the input data set, and computational results may be refined by optionally iterating the computational procedure. To deduce features of a new material of interest, a computed or measured input property of the material is provided to an equation, correspondence, or algorithmic procedure previously deduced, and an output is obtained. In some instances, the output is iteratively refined. In some instances, new features deduced for the material of interest are added to a database of input and output data for known materials.
    • 用于预测感兴趣的材料的特征的系统和方法。 分析参考数据以推断输入数据集和输出数据集之间的关系。 参考数据包括测量值和/或计算值。 推导的关系可以被指定为在使用合适的输入数据时产生适当输出数据的方程式,对应关系和/或算法过程。 在一些情况下,输出数据集是输入数据集的子集,并且可以通过可选地迭代计算过程来改进计算结果。 为了推导出感兴趣的新材料的特征,将材料的计算或测量输入特性提供给先前推导的等式,对应关系或算法过程,并获得输出。 在某些情况下,迭代地改进输出。 在某些情况下,为感兴趣的材料推出的新功能被添加到已知材料的输入和输出数据的数据库中。