公开(公告)号：US20150154146A1

公开(公告)日：2015-06-04

申请号：US14558260

申请日：2014-12-02

Applicant: Samsung Electronics Co., Ltd.

Inventor： Ji-Ho YOO ,  Sang-Heum HWANG ,  Sung-jin KIM ,  Sang-hyun LEE ,  Chan-hee LEE

IPC: G06F17/18

CPC classification number: G06F17/18 ,  G16C20/50

Abstract: Example embodiments relate to a system and method for searching for a new material. The example method includes acquiring a substitution tendency matrix X including substitution tendency data of ions based on existing crystal structure data, calculating an ion property matrix U by applying a symmetric matrix factorization model to the substitution tendency matrix X, acquiring substitution tendency prediction data based on the calculated ion property matrix U, and calculating probabilities of substitution of new crystal structures based on the substitution tendency prediction data.

Abstract translation: 示例性实施例涉及用于搜索新材料的系统和方法。 该示例方法包括：基于现有晶体结构数据获取包括离子取代趋势数据的置换趋势矩阵X，通过将对称矩阵分解模型应用于替换趋势矩阵X来计算离子特性矩阵U，基于 计算的离子特性矩阵U，并根据替代趋势预测数据计算新晶体结构的取代概率。