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Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong Kong 999077, China
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AdsMind achieves a staggering 100% success rate in discovering adsorption configurations while slashing computational costs by 14-fold compared to traditional methods.
Current AI agents struggle to reliably rediscover scientific knowledge, with top performers averaging only 21.5 out of a possible score, revealing critical gaps in their research capabilities.
NNVMC's promise for solving quantum many-body problems is currently bottlenecked by surprisingly mundane issues: low-intensity elementwise operations and data movement on GPUs.
