Interdisciplinary Discovery of Nanomaterials Based on Convolutional Neural Networks. - Tong Xie; Yuwei Wan; Weijian Li 002; Qingyuan Linghu; Shaozhou Wang; Yalun Cai; Han Liu 001; Chunyu Kit; Clara Grazian; Bram Hoex (CoRR, 2022)

Large Language Models as Master Key: Unlocking the Secrets of Materials Science with GPT. - Tong Xie; Yuwei Wan; Wei Huang 040; Yufei Zhou; Yixuan Liu; Qingyuan Linghu; Shaozhou Wang; Chunyu Kit; Clara Grazian; Wenjie Zhang 001; Bram Hoex (CoRR, 2023)

DARWIN Series: Domain Specific Large Language Models for Natural Science. - Tong Xie; Yuwei Wan; Wei Huang 040; Zhenyu Yin; Yixuan Liu; Shaozhou Wang; Qingyuan Linghu; Chunyu Kit; Clara Grazian; Wenjie Zhang 001; Imran Razzak; Bram Hoex (CoRR, 2023)

ByteScience: Bridging Unstructured Scientific Literature and Structured Data with Auto Fine-tuned Large Language Model in Token Granularity. - Tong Xie; Hanzhi Zhang; Shaozhou Wang; Yuwei Wan; Imran Razzak; Chunyu Kit; Wenjie Zhang 001; Bram Hoex (ICDM (Workshops), 2024)

Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model. - Yanpeng Ye; Jie Ren; Shaozhou Wang; Yuwei Wan; Imran Razzak; Bram Hoex; Haofen Wang; Tong Xie; Wenjie Zhang 001 (NeurIPS, 2024)

SciQAG: A Framework for Auto-Generated Scientific Question Answering Dataset with Fine-grained Evaluation. - Yuwei Wan; Aswathy Ajith; Yixuan Liu; Ke Lu; Clara Grazian; Bram Hoex; Wenjie Zhang 001; Chunyu Kit; Tong Xie; Ian T. Foster (CoRR, 2024)

From Tokens to Materials: Leveraging Language Models for Scientific Discovery. - Yuwei Wan; Tong Xie; Nan Wu; Wenjie Zhang 001; Chunyu Kit; Bram Hoex (CoRR, 2024)

Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials. - Tong Xie; Yuwei Wan; Haoran Wang; Ina Østrøm; Shaozhou Wang; Mingrui He; Rong Deng; Xinyuan Wu; Clara Grazian; Chunyu Kit; Bram Hoex (J. Chem. Inf. Model., 2024)

Creation of a structured solar cell material dataset and performance prediction using large language models. - Tong Xie; Yuwei Wan; Yufei Zhou; Wei Huang 040; Yixuan Liu; Qingyuan Linghu; Shaozhou Wang; Chunyu Kit; Clara Grazian; Wenjie Zhang 001; Bram Hoex (Patterns, 2024)

Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI. - Sha Zhang 002; Suorong Yang; Tong Xie; Xiangyuan Xue; Zixuan Hu; Rui Li; Wenxi Qu; Zhenfei Yin; Tianfan Fu; Di Hu 001; Andres M. Bran; Nian Ran; et al. (CoRR, 2025)

DrugMCTS: a drug repurposing framework combining multi-agent, RAG and Monte Carlo Tree Search. - Zerui Yang; Yuwei Wan; Siyu Yan; Yudai Matsuda; Tong Xie; Bram Hoex; Linqi Song (CoRR, 2025)