Recent Articles
Gemini Robotics Team, Petko Georgiev, Ving Ian Lei, Ryan Burnell, Libin Bai et al. · arXiv (Cornell University) (2024)
Long-context capability enables extended autonomous agents for multi-step scientific research workflows.
Yue Zhang, Yafu Li, Leyang Cui, Cai Deng, Lemao Liu et al. · Computational Linguistics (2025)
Addresses hallucination in LLMs, critical for deploying reliable autonomous agents in scientific discovery.
Mayk Caldas Ramos, Christopher J. Collison, Andrew Dickson White · Chemical Science (2024)
Directly demonstrates autonomous agents augmenting scientific discovery in chemistry, matching HIGH PRIORITY interests.
Ranjan Sapkota, Konstantinos I. Roumeliotis, Manoj Karkee · SuperIntelligence - Robotics - Safety & Alignment (2025)
Establishes conceptual taxonomy distinguishing agent architectures for autonomous research workflows.
Yuming Su, Xue Wang, Yubo Ye, Yibo Xie, Yujing Xu et al. · Chemical Science (2024)
Demonstrates autonomous scientific workflows combining LLMs with experimental automation for discovery.
Classic Foundations
Johan Alwall, Michel Herquet, Fabio Maltoni, Olivier Mattelaer, Tim Stelzer · Journal of High Energy Physics (2011)
Foundational computational physics generator for particle and condensed matter simulations.
Iqbal H. Sarker · SN Computer Science (2021)
Comprehensive overview of deep learning methods now applied to materials science and computational automation.
Zhiheng Xi, Wen-Xiang Chen, Xin Guo, Wei He, Yiwen Ding et al. · arXiv (Cornell University) (2023)
Foundational survey of LLM-based agent architectures relevant to autonomous research workflows.
Han Yang, Chenxi Hu, Yichi Zhou, Xixian Liu, Shi Yu et al. · arXiv (Cornell University) (2024)
Establishes ML-based atomistic modeling for accelerating materials property prediction.
Zhuoyuan Zheng, Jie Zhou, Yusong Zhu · Chemical Society Reviews (2024)
Demonstrates first-principles and machine learning integration for materials discovery.