Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation
出版年份 2018 全文链接
标题
Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 24, Pages 241704
出版商
AIP Publishing
发表日期
2018-03-15
DOI
10.1063/1.5009347
参考文献
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