Publications

A collection of my research work.

QCBench: Evaluating large language models on domain-specific Quantitative Chemistry

Jiaqing Xie, Weida Wang, Ben Gao, Zhuo Yang, Haiyuan Wan, Shufei Zhang, Tianfan Fu, Yuqiang Li^†

Journal of Chemical Information and Modeling 2025

DOI Code

MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation

Shuaike Shen, Jiaqing Xie, Zhuo Yang, Antong Zhang, Shuzhou Sun, Ben Gao, Tianfan Fu, Biqing Qi, Yuqiang Li^†

2025

Preprint Code

SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy

Zhuo Yang, Jiaqing Xie, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Qinying Gu, Jun Jiang, Tianfan Fu, Yuqiang Li^†

2025

Preprint Code Dataset

Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs

Zhuo Yang, Daolang Wang, Lingli Ge, Beilun Wang, Tianfan Fu, Yuqiang Li^†

2025

Preprint Code