Zhao, Boxuan

赵博轩

Ph.D. Candidate

Publications by this group (5 papers)

97. Large Language Models in Chemistry and Materials Science: A Comprehensive Survey

Jinshi Li, Chengchun Liu, Chengrui Wei, Yimi Wang, Boxuan Zhao, Zhiyuan Yan, Wendi Cai, Wenchao Wu, Shuangyan Tian, Zifu Wang, Weida Wang, Shufei Zhang, Jie Zhu, and Fanyang Mo

ChemRxiv 2026, DOI: 10.26434/chemrxiv.15009184/v1

Published: Sep 21, 2026

95. An agentic preparative thin-layer chromatography system for autonomous purification

Wendi Cai#, Boxuan Zhao#, Yansong Yue#, Changlin Liu, Chengchun Liu, Ying Cui, Zi-Hao Zhou, Xiaohui Tian, Zhong-Chao Zhang, Zhen Yang, Jie Zhu*, and Fanyang Mo*

J. Am. Chem. Soc. 2026, 148, 43269–43279

Published: Oct 14, 2026

94. Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data

Chengchun Liu#, Zhiyuan Yan#, Li Yuan*, Hao Li, Boxuan Zhao, Yonghong Tian, Bartosz A. Grzybowski*, and Fanyang Mo*

Angew. Chem. Int. Ed. 2026, e9212238

Published: Sep 11, 2026

93. A Cross-Domain Graph Learning Protocol for Single-Step Molecular Geometry Refinement

Chengchun Liu, Wendi Cai, Boxuan Zhao, and Fanyang Mo*

J. Chem. Theory Comput. 2026, 22, 14, 7469–7479

Published: Jul 12, 2026

92. MoleCode unlocks structural intelligence in large language models

Zhiyuan Yan#, Chen Liu#, Boxuan Zhao#, Kaiqing Lin, Jixiang Zhao, Yimi Wang, Liuzhenghao Lv, Hao Li, Shanzhuo Zhang, Li Yuan*, Fanyang Mo*

arXiv: 2605.16480

Published: May 15, 2026