Incorporation of density scaling constraint in density functional design via contrastive representation learning
Incorporation of density scaling constraint in density functional design via contrastive representation learning
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DOI：
10.1039/d3dd00114h
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发表时间：
2022-05
期刊：
影响因子：
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通讯作者：
Weiyi Gong;Tao Sun;Hexin Bai;S. Chowdhury;Peng Chu;Anoj Aryal;Jie Yu;H. Ling;J. Perdew;Q. Yan
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文献类型：
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作者：
Weiyi Gong;Tao Sun;Hexin Bai;S. Chowdhury;Peng Chu;Anoj Aryal;Jie Yu;H. Ling;J. Perdew;Q. Yan
在数据驱动的范式中，机器学习（ML）是密度泛函理论（DFT）中开发准确和通用的交换相关（XC）泛函的核心组成部分。众所周知，……
In a data-driven paradigm, machine learning (ML) is the central component for developing accurate and universal exchange-correlation (XC) functionals in density functional theory (DFT). It is well known that XC...