ab initio molecular dynamics 1active learning 1benchmarking 1eda workflow 1electrochemistry 1LLM agents 1machine learning potentials 1spectroscopy 1tool integration 1vlsi physical design 1workflow automation 1
From the 2 of 2 linked papers with an AI index.
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
The paper introduces ai2-kit, a software toolkit that streamlines AI‑accelerated ab initio workflows for complex chemical systems by providing command‑line and Python interfaces fo…
cs.AR2026
PDAGENT-BENCH: Characterizing, Grounding, and Architecting LLM/VLM Agents for VLSI Physical Design
Qiufeng Li, Rongqian Chen, Quan Cheng +6
The paper presents PDAGENT-BENCH, a benchmark suite and workflow framework for evaluating large language model and vision‑language model agents on VLSI physical design tasks, cover…