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cs.AI2026
Agentic AI Scientists Are Not Built For Autonomous Scientific Discovery
Harshit Bisht, Vinay Kumar, Kevin Maik Jablonka +2
A growing body of work pursues AI scientists capable of end-to-end autonomous scientific discovery. This position paper argues that although they already function as co-scientists,…
cs.AI2026
MDGYM: Benchmarking AI Agents on Molecular Simulations
Vinay Kumar, Satyendra Rajput, Mausam +1
The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dy…