arXiv AI By Jingjie Ning, Xiaochuan Li, Shanshan Zhong, Ji Zeng, Guolin Ke

Auto Research for Materials: Auditable AI-Scientist Workflows with Held-Out Transfer

Read the original on arXiv AI →

arXiv:2607. 17100v1 Announce Type: cross Abstract: An AI research agent can improve the score it sees without finding a modelling change that works on new materials.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv AI.

arXiv AI
Jun 11

Toward Generalist Autonomous Research via Hypothesis-Tree Refinement

arXiv:2606. 11926v1 Announce Type: cross Abstract: Scientific progress depends on a repeated loop of exploration, experimentation, and abstraction.

By Jiajie Jin, Yuyang Hu, Kai Qiu, Qi Dai, Chong Luo, Guanting Dong, Xiaoxi Li, Tong Zhao, Xiaolong Ma, Gongrui Zhang, Zhirong Wu, Bei Liu, Zhengyuan Yang, Linjie Li, Lijuan Wang, Hongjin Qian, Yutao Zhu, Zhicheng Dou
arXiv AI
Jun 6

AutoDFT: A Closed-Loop Multi-Agent Framework for Autonomous DFT Calculations

arXiv:2605. 26179v2 Announce Type: replace-cross Abstract: Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when unexpected physics emerges, and inserting steps as intermediate results reshape the problem.

By Penghui Yang, Zhonghan Zhang, Yue Li, Xinrun Wang, Yanchen Deng, Yuhao Lu, Bijun Tang, Zheng Liu, Bo An