密度泛函理论
功能理论
计算机科学
心理学
人工智能
认知科学
机器学习
物理
量子力学
作者
Ryan Pederson,Bhupalee Kalita,Kieron Burke
标识
DOI:10.1038/s42254-022-00470-2
摘要
Over the past decade machine learning has made significant advances in approximating density functionals, but whether this signals the end of human-designed functionals remains to be seen. Ryan Pederson, Bhupalee Kalita and Kieron Burke discuss the rise of machine learning for functional design.
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