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20132026
most citedANI-1: An extensible neural network potential with DFT accuracy at force field computational cost

2.1k citations · 3.9k across the 15 of their papers we have counts for

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cond-mat.mtrl-sci2026

DynaCrys: Crystal Generation with Dynamic Space-Group Diffusion

Zhuotao Jin, Xiaoyun Wang, Nicholas Brawand +5

The search for new crystalline materials spans an enormous compositional and structural space. Generating candidates in this space requires jointly modeling discrete crystallograph…

cond-mat.mtrl-sci2020★ 98 cited

Automated discovery of a robust interatomic potential for aluminum

Justin S. Smith, Benjamin Nebgen, Nithin Mathew +8

Accuracy of molecular dynamics simulations depends crucially on the interatomic potential used to generate forces. The gold standard would be first-principles quantum mechanics (QM…