15 citations · 24 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 1 cited
Generative Hierarchical Materials Search
Sherry Yang, Simon Batzner, Ruiqi Gao +7
Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials…
cond-mat.mtrl-sci2022★ 15 cited
Learned Force Fields Are Ready For Ground State Catalyst Discovery
Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose +6
We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery. Our key finding is that relaxation using forces fro…