Select Publications

Journal articles

Liu X; Hu B; Liu P; Huang M; Li M; Wan Y; Hoex B; Xie T, 2025, 'Accelerating the discovery of high-efficiency donor-acceptor pairs in organic photovoltaics via SolarPCE-Net guided screening', JOURNAL OF MATERIALS CHEMISTRY A, http://dx.doi.org/10.1039/d5ta04854k

Wang S; Wan Y; Song N; Liu Y; Xie T; Hoex B, 2024, 'Automatically Generated Datasets: Present and Potential Self-Cleaning Coating Materials', Scientific Data, 11, http://dx.doi.org/10.1038/s41597-024-02983-0

Xie T; Wan Y; Zhou Y; Huang W; Liu Y; Linghu Q; Wang S; Kit C; Grazian C; Zhang W; Hoex B, 2024, 'Creation of a structured solar cell material dataset and performance prediction using large language models', Patterns, 5, http://dx.doi.org/10.1016/j.patter.2024.100955

Xie T; Wan Y; Wang H; Østrøm I; Wang S; He M; Deng R; Wu X; Grazian C; Kit C; Hoex B, 2024, 'Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials', Journal of Chemical Information and Modeling, 64, pp. 2746 - 2759, http://dx.doi.org/10.1021/acs.jcim.3c00746

Liao B; Wu X; Wu W; Liu C; Ma S; Wang S; Xie T; Wang Q; Du Z; Shen W; Li X; Li W; Hoex B, 2023, 'Tube-type plasma-enhanced atomic layer deposition of aluminum oxide: Enabling record lab performance for the industry with demonstrated cell efficiencies >24%', Progress in Photovoltaics Research and Applications, 31, pp. 52 - 61, http://dx.doi.org/10.1002/pip.3607

Wang S; Xie T; Liang R; Zhang Y; Ma FJ; Payne D; Scardera G; Hoex B, 2022, 'An Artificial-Intelligence-Assisted Investigation on the Potential of Black Silicon Nanotextures for Silicon Solar Cells', ACS Applied Nano Materials, 5, pp. 11636 - 11647, http://dx.doi.org/10.1021/acsanm.2c02619

Conference Papers

Xie T; Zhang H; Wang S; Wan Y; Razzak I; Kit C; Zhang W; Hoex B, 2024, 'ByteScience: Bridging Unstructured Scientific Literature and Structured Data with Auto Fine-tuned Large Language Model in Token Granularity', in IEEE International Conference on Data Mining Workshops Icdmw, pp. 907 - 911, http://dx.doi.org/10.1109/ICDMW65004.2024.00126

Ye Y; Ren J; Wang S; Wan Y; Razzak I; Hoex B; Wang H; Xie T; Zhang W, 2024, 'Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model', in Advances in Neural Information Processing Systems

Preprints

Xie T; Wan Y; Liu Y; Zeng Y; Wang S; Zhang W; Grazian C; Kit C; Ouyang W; Zhou D; Hoex B, 2025, Large Language Models as Materials Science Adapted Learners, http://dx.doi.org/10.21203/rs.3.rs-6752901/v1

Xie T; Wan Y; Liu Y; Zeng Y; Wang S; Zhang W; Grazian C; Kit C; Ouyang W; Zhou D; Hoex B, 2024, DARWIN 1.5: Large Language Models as Materials Science Adapted Learners, http://dx.doi.org/10.48550/arxiv.2412.11970

Xie T; Zhang H; Wang S; Wan Y; Razzak I; Kit C; Zhang W; Hoex B, 2024, ByteScience: Bridging Unstructured Scientific Literature and Structured Data with Auto Fine-tuned Large Language Model in Token Granularity, http://dx.doi.org/10.48550/arxiv.2411.12000

Wan Y; Xie T; Wu N; Zhang W; Kit C; Hoex B, 2024, From Tokens to Materials: Leveraging Language Models for Scientific Discovery, http://dx.doi.org/10.48550/arxiv.2410.16165

Wan Y; Liu Y; Ajith A; Grazian C; Hoex B; Zhang W; Kit C; Xie T; Foster I, 2024, SciQAG: A Framework for Auto-Generated Science Question Answering Dataset with Fine-grained Evaluation, http://dx.doi.org/10.48550/arxiv.2405.09939

Ye Y; Ren J; Wang S; Wan Y; Razzak I; Hoex B; Wang H; Xie T; Zhang W, 2024, Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model, http://dx.doi.org/10.48550/arxiv.2404.03080

Xie T; Wan Y; Huang W; Yin Z; Liu Y; Wang S; Linghu Q; Kit C; Grazian C; Zhang W; Razzak I; Hoex B, 2023, DARWIN Series: Domain Specific Large Language Models for Natural Science, http://dx.doi.org/10.48550/arxiv.2308.13565

Xie T; Wan Y; Huang W; Zhou Y; Liu Y; Linghu Q; Wang S; Kit C; Grazian C; Zhang W; Hoex B, 2023, Large Language Models as Master Key: Unlocking the Secrets of Materials Science with GPT, http://dx.doi.org/10.48550/arxiv.2304.02213

Xie T; Wan Y; Li W; Linghu Q; Wang S; Cai Y; Liu H; Kit C; Grazian C; Hoex B, 2022, Interdisciplinary Discovery of Nanomaterials Based on Convolutional Neural Networks, http://dx.doi.org/10.48550/arxiv.2212.02805


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