output
20112026
most citedTowards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements

450 citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2021 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2021★ 450 cited

Towards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements

So Takamoto, Chikashi Shinagawa, Daisuke Motoki +19

Computational material discovery is under intense study owing to its ability to explore the vast space of chemical systems. Neural network potentials (NNPs) have been shown to be p…