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2020 – today
- 2025
[j5]Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu
, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie:
A generative model for inorganic materials design. Nat. 639(8055): 624-632 (2025)- [j4]Fuxiang Liu, Jielan Li:
Analytical Properties and Hermite-Hadamard Type Inequalities Derived from Multiplicative Generalized Proportional σ-Riemann-Liouville Fractional Integrals. Symmetry 17(5): 702 (2025) - [i2]Yingce Xia, Peiran Jin, Shufang Xie, Liang He, Chuan Cao, Renqian Luo, Guoqing Liu, Yue Wang, Zequn Liu, Yuan-Jyue Chen, Zekun Guo, Yeqi Bai, Pan Deng, Yaosen Min, Ziheng Lu, Hongxia Hao, Han Yang, Jielan Li, Chang Liu, Jia Zhang, Jianwei Zhu, Kehan Wu, Wei Zhang, Kaiyuan Gao, Qizhi Pei, Qian Wang, Xixian Liu, Yanting Li, Houtian Zhu, Yeqing Lu, Mingqian Ma, Zun Wang, Tian Xie, Krzysztof Maziarz, Marwin H. S. Segler, Zhao Yang, Zilong Chen, Yu Shi, Shuxin Zheng, Lijun Wu, Chen Hu, Peggy Dai, Tie-Yan Liu, Haiguang Liu, Tao Qin:
NatureLM: Deciphering the Language of Nature for Scientific Discovery. CoRR abs/2502.07527 (2025) - [i1]Ming Hu, Chenglong Ma, Wei Li, Wanghan Xu, Jiamin Wu, Jucheng Hu, Tianbin Li, Guohang Zhuang, Jiaqi Liu, Yingzhou Lu, Ying Chen, Chaoyang Zhang, Cheng Tan, Jie Ying, Guocheng Wu, Shujian Gao, Pengcheng Chen, Jiashi Lin, Haitao Wu, Lulu Chen, Fengxiang Wang, Yuanyuan Zhang, Xiangyu Zhao, Feilong Tang, Encheng Su, Junzhi Ning, Xinyao Liu, Ye Du, Changkai Ji, Cheng Tang, Huihui Xu, Ziyang Chen, Ziyan Huang, Jiyao Liu, Pengfei Jiang, Yizhou Wang, Chen Tang, Jianyu Wu, Yuchen Ren, Siyuan Yan, Zhonghua Wang, Zhongxing Xu, Shiyan Su, Shangquan Sun, Runkai Zhao, Zhisheng Zhang, Yu Liu, Fudi Wang, Yuanfeng Ji, Yanzhou Su, Hongming Shan, Chun-Mei Feng, Jiahao Xu, Jiangtao Yan, Wenhao Tang, Diping Song, Lihao Liu, Yanyan Huang, Lequan Yu, Bin Fu, Shujun Wang, Xiaomeng Li, Xiaowei Hu, Yun Gu, Ben Fei, Zhongying Deng, Benyou Wang, Yuewen Cao, Minjie Shen, Haodong Duan, Jie Xu, Yirong Chen, Fang Yan, Hongxia Hao, Jielan Li, Jiajun Du, Yanbo Wang, Imran Razzak, Chi Zhang, Lijun Wu, Conghui He, Zhaohui Lu, Jinhai Huang, Yihao Liu, Fenghua Ling, Yuqiang Li, Aoran Wang, Qihao Zheng, Nanqing Dong, Tianfan Fu, Dongzhan Zhou, Yan Lu, Wenlong Zhang, Jin Ye, Jianfei Cai, Wanli Ouyang, Yu Qiao, Zongyuan Ge, Shixiang Tang, Junjun He:
A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers. CoRR abs/2508.21148 (2025) - 2024
- [j3]Junwei Feng, Lingyun Wan, Jielan Li, Shizhe Jiao, Xinhui Cui, Wei Hu, Jinlong Yang:
Massively parallel implementation of iterative eigensolvers in large-scale plane-wave density functional theory. Comput. Phys. Commun. 299: 109135 (2024) - 2023
- [j2]Xinming Qin, Junshi Chen, Zhaolong Luo, Lingyun Wan, Jielan Li, Shizhe Jiao, Zhenlin Zhang, Qingcai Jiang, Wei Hu, Hong An, Jinlong Yang:
High performance computing for first-principles Kohn-Sham density functional theory towards exascale supercomputers. CCF Trans. High Perform. Comput. 5(1): 26-42 (2023) - 2022
- [j1]Shizhe Jiao, Zhenlin Zhang, Kai Wu, Lingyun Wan, Huanhuan Ma, Jielan Li, Sheng Chen, Xinming Qin, Jie Liu, Zijing Ding, Jinlong Yang, Yingzhou Li, Wei Hu, Lin Lin, Chao Yang:
KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set. Comput. Phys. Commun. 279: 108424 (2022) - [c2]Qingcai Jiang, Jielan Li, Junshi Chen, Xinming Qin, Lingyun Wan, Jinlong Yang, Jie Liu, Wei Hu, Hong An:
Accelerating Parallel First-Principles Excited-State Calculation by Low-Rank Approximation with K-Means Clustering. ICPP 2022: 85:1-85:11 - [c1]Wei Hu, Hong An, Zhuoqiang Guo, Qingcai Jiang, Xinming Qin, Junshi Chen, Weile Jia, Chao Yang, Zhaolong Luo, Jielan Li, Wentiao Wu, Guangming Tan, Dongning Jia, Qinglin Lu, Fangfang Liu, Min Tian, Fang Li, Yeqi Huang, Liyi Wang, Sha Liu, Jinlong Yang:
2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT. SC 2022: 5:1-5:13
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