2 papers
physics.chem-ph2026
Ai2-Kit: Streamlining AI-Accelerated Ab Initio Workflows for Complex Chemical Systems
Sheng Bi, Wei-Hong Xu, Yong-Bin Zhuang +47
Molecular simulations of complex chemical systems, such as catalysis, electrochemistry, and energy storage, often need to capture the interplay of effects such as electronic struct…
cs.MA2026
GenWorld: Empirically Grounded Urban Simulation Infrastructure for Scalable LLM-Agent Studies
Gen Li, Jieyuan Lan, Pengcheng Xu +3
LLM-agent simulation faces a joint grounding and scaling problem: agents should act in environments that reflect real urban constraints, yet direct online LLM calls for city-scale…