Machine learning speeds up search for surface structure

被引：0
|
作者：
Mie Andersen
机构：
[1] Aarhus University,Aarhus Institute of Advanced Studies
[2] Aarhus University,Center for Interstellar Catalysis, Department of Physics and Astronomy
来源：
Nature Computational Science | 2023年 / 3卷
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D O I：
暂无
中图分类号：
学科分类号：
摘要：
It is difficult to identify stable surface reconstructions of complex materials. Now a Monte Carlo sampling strategy is coupled with a machine learning interatomic potential that is iteratively improved via active learning during the search.
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页码：1009 / 1010
页数：1
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