Roles and opportunities for machine learning in organic molecular crystal structure prediction and its applications

被引:0
|
作者
Rebecca J. Clements
Joshua Dickman
Jay Johal
Jennie Martin
Joseph Glover
Graeme M. Day
机构
[1] University of Southampton,School of Chemistry
来源
MRS Bulletin | 2022年 / 47卷
关键词
Machine learning; Crystallographic structure; Crystal; Simulation; Polymorphism;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:1054 / 1062
页数:8
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