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cs.AI2026
The convergent laboratory: when AI reasoning, autonomous experiments, high performance and quantum computing reshape chemistry
Eliu Huerta, Xiaoyun Wang, Geetika Gupta +7
This Comment emerges from TPC26 (https://tpc26.org), a conference convening leaders from academia, national laboratories, and industry who are reshaping materials science discovery…
cs.LG2026
Knowing when to trust machine-learned interatomic potentials
Shams Mehdi, Ilkwon Cho, Olexandr Isayev
Prevailing machine-learned interatomic potential (MLIP) uncertainty-quantification methods rely on ensembles of independently trained backbones. These methods scale unfavorably wit…