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20192025
most citedPutting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery

58 citations · 115 across the 17 of their papers we have counts for

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cs.LG2023★ 8 cited

Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials

Shengchao Liu, Weitao Du, Yanjing Li +10

Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of…