3.6k citations · 10.6k across the 54 of their papers we have counts for
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cond-mat.mtrl-sci2024★ 1 cited
Force field optimization by end-to-end differentiable atomistic simulation
Abhijeet S. Gangan, Samuel S. Schoenholz, Ekin Dogus Cubuk +2
The accuracy of atomistic simulations depends on the precision of force fields. Traditional numerical methods often struggle to optimize the empirical force field parameters for re…
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…