Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computer Networks and Communications,Computer Science Applications,Computer Science (miscellaneous)
Link
https://www.nature.com/articles/s43588-022-00265-6.pdf
Reference62 articles.
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3. Jones, R. O. Density functional theory: its origins, rise to prominence and future. Rev. Mod. Phys. 87, 897–923 (2015).
4. LeCun, Y., Bengio, Y. & Hinton, G. Deep learning. Nature 521, 436–444 (2015).
5. Jordan, M. I. & Mitchell, T. M. Machine learning: trends, perspectives and prospects. Science 349, 255–260 (2015).
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