2025
28. Haiyan Zhou, Hongxiang Wu, Zhixiang Zhong, Pilar Blasco, Jingwen Zeng, Jiaqi Wang*, Han Liu*, Xuechen Li*, "Discovery of d-Miniprotein Inhibitors of PD-1/PD-L1 Interaction via Mirror-Image Phage Display against Synthetic d-PD-1", JACS Au, https://doi.org/10.1021/jacsau.5c01181
27. Shujia Liu#, Haojin Zhou#, Weihua Bian, Kanghui Huan, Meng Zhao*, Jiaqi Wang*, "Computational Discovery of Aggregation-Mediated Dipeptide Inhibitors Targeting PHLDA1 for Cardiovascular Therapy", ACS Omega, https://doi.org/10.1021/acsomega.5c06570.
26. Zhimeng Li, Zichen Xie*, Yiyang Li, Chuan Wang, Zonghua Tian, Zhenhao Zhao, Boyu Su, Haoyu You, Jiaqi Wang*, Keyu Sun*, Tao Sun*, "Engineered‐Macrophage‐Escorted Rotaxane Nanoscavengers for Precise Diquat Detoxification", Advanced Materials, 2506466, 2025.
25. Xinyuan Chen#, Haojin Zhou#, Xueqing He*, Jiaqi Wang*, "Computational Design of Next-Gen Peptide Biopesticides: Targeting the Nicotinic Acetylcholine Receptor in Rice Pests Class", bioRxiv, doi: https://doi.org/10.1101/2025.06.25.661460, 2025.
24. Delong Ma, Yang Chen, Xinyu Niu, Ruili Zhang, Xun Hu*, Jiaqi Wang*, Haiqing Wang*, "Construction of a Patterned, Lightweight, and Transparent Zinc Mesh Anode for Smart Electrochromic Energy Storage Windows". ACS Applied Electronic Materials, 7, 12, 5622–5632, 2025.
23. Zhihui Zhu, Huapeng Liu, Yongfu Guo, Mouzheng Xu, Xuechen Li, Haojin Zhou*, Jiaqi Wang*, "Harnessing Uniform Design to Enhance AI-Driven Predictions of Physicochemical Properties of Short Peptides", bioRxiv, https://doi.org/10.1101/2025.03.10.642308, 2025.
22. Meiru Yan#, Ankeer Abuduhebaier#, Haojin Zhou*, Jiaqi Wang*, "How Does Sampling Affect the AI Prediction Accuracy of Peptides' Physicochemical Properties", bioRxiv, https://doi.org/10.1101/2025.01.29.635451, 2025.
21. Zichao Guo, Yang Li, Letao Xu, Jiaqi Wang, Jitong Lyu, Guangze Yang, Yun Liu, Yue Hui*, Chun-Xia Zhao*, "Design and Optimization of Bifunctional Peptides for Controlled Core–Shell Nanocapsule Formation", Journal of Colloid and Interface Science, 685, 599-612, 2025.
20. Zihan Liu#, Meiru Yan#, Zhihui Zhu#, Yongfu Guo, Mouzheng Xu, Jiaqi Wang*, "Integrating Sequence and Chemical Insights: A Co-Modeling AI Prediction Framework for Peptides". Journal of Materials Informatics, 5, 17, 2025.
2024
19. Yang Li, Yilun Weng, Yue Hui, Jiaqi Wang, Letao Xu, Yang Yang, Guangze Yang*, Chuaxia Zhao*, "Design of Stimuli-Responsive Minimalist Heptad Surfactants for Stable Emulsions". Communications Materials, 5 (1), 229, 2024.
18. Jiaqi Wang#, Zihan Liu#, Shuang Zhao#, Yu Zhang, Tengyan Xu, Stan Z. Li*, Wenbin Li*, "Aggregation Rules of Short Peptides". JACS Au, 4, 19, 2024.
17. Xingliang Liu#, Jing Huang#, Jiaqi Wang, Haonan Sheng, Zhen Yuan, Wanying Wang, Wenbin Li, Ziyuan Song*, Jianjun Cheng*, "Accelerated and Controlled Polymerization of N-Carboxyanhydrides Assisted by Acids". CCS Chemistry, 2024.
2023
16. Zihan Liu#, Jiaqi Wang#, Yun Luo, Shuang Zhao, Wenbin Li* and Stan Z. Li*, "Exploring Peptide Encoding with Deep Learning through A Sizeable Peptide Self-assembly Dataset", Briefings in Bioinformatics, 24, 6, 2023.
15. Jiaqi Wang#, Zihan Liu#, Shuang Zhao#, Tengyan Xu#, Huaimin Wang*, Stan Z. Li*, Wenbin Li*, "Deep Learning Empowers the Discovery of Self-Assembling Peptides with over Ten Trillion Sequences". Advanced Science, 2301544, 2023.
14. Tengyan Xu#, Jiaqi Wang#, Shuang Zhao, Dinghao Chen, Hongyue Zhang, Yu Fang, Nan Kong, Ziao Zhou, Wenbin Li*, Huaimin Wang*, "Accelerating the Prediction and Discovery of Peptide Hydrogels with Human-in-the-Loop". Nature Communications, 14, 3830, 2023.
13. Mengqi Wu#, Zhefeng Lou#, Chen-Min Dai#, Tao Wang, Jiaqi Wang, Ziye Zhu, Zhuokai Xu, Tulai Sun, Wenbin Li*, Xiaorui Zheng*, Xiao Lin*, "Achieving Ferroelectricity in a Centrosymmetric High-Performance Semiconductor by Strain Engineering". Advanced Materials, 2300450, 2023.
2021
12. Md MA Hasan, Jiaqi Wang, Seungha Shin*, Dustin A. Gilbert, Peter K. Liaw, Nan Tang, WL Namila C. Liyanage, Louis Santodonato, Lisa Debeer-Schmitt, and Nicholas P. Butch, "Effects of Aluminum Content on Thermoelectric Performance of AlxCoCrFeNi High-Entropy Alloys". Journal of Alloys and Compounds, 883, 160811, 2021.
2020
11. Jiaqi Wang#, Chengcheng Li#, Seungha Shin*, and Hairong Qi, "Accelerated Atomic Data Production in Ab Initio Molecular Dynamics with Recurrent Neural Network for Materials Research". The Journal of Physical Chemistry C, 124, 14838-14846, 2020.
2019
10. Md MA Hasan, Jiaqi Wang, Yong Chae Lim, Anming Hu, and Seungha Shin*, "Concentration Dependence of Hydrogen Diffusion in α-Iron from Atomistic Perspectives". International Journal of Hydrogen Energy, 44, 27876-27884, 2019.
9. Jiaqi Wang, Seungha Shin*, Sangkeun Lee, "Interatomic Potential Development: Finite Temperature Dynamics Machine Learning". Advanced Theory and Simulation, 3, 1900210, 2019.
8. Jiaqi Wang, Ali Y. Nobakht, James Dean Blanks, Dongwon Shin, Sangkeun Lee, Amit Shyam, Hassan Rezayat, Seungha Shin*, "Machine Learning for Thermal Transport Analysis of Aluminum Alloys with Precipitate Morphology". Advanced Theory and Simulation, 2, 1800196, 2019.
7. Jiaqi Wang, Dongwon Shin, Seungha Shin*, "Comprehensive Evaluation and Parametric Sensitivity of Interatomic Potential Models for Diffusion Kinetics of Cr2O3 in Molecular Dynamics". AIP Advances, 9, 015123, 2019.
6. Jiaqi Wang, Seungha Shin*, Ali Y. Nobakht, Amit Shyam, "Structural Deformation and Transformation of θ'-Al2Cu Precipitate in Al Matrix via Interfacial Diffusion". Computational Materials Science, 156, 111-120, 2019.
2018
5. Jiaqi Wang, Seungha Shin*, Anming Hu, Jackson K. Wilt, "Diffusion Kinetics of Transient Liquid Phase Bonding of Ni-based Superalloy with Ni Nanoparticles: A Molecular Dynamics Perspective". Computational Materials Science, 152, 228-235, 2018.
4. Ali Y. Nobakht, Yasser A. Gandomi, Jiaqi Wang, Matthew H. Bowman, Drew C. Marable, Benton E. Garrison, Daekun Kim, Seungha Shin*, "Thermal Rectification via Asymmetric Structural Defects in Graphene". Carbon, 132, 565-572, 2018.
3. Jiaqi Wang, Seungha Shin*, "Sintering of Multiple Cu-Ag Core-Shell Nanoparticles and Properties of Nanoparticle-Sintered Structure". RSC Advances, 7, 21607-21617, 2017.
2. Jiaqi Wang, Seungha Shin*, "Room Temperature Nanojoining of Cu-Ag Core-Shell Nanoparticles and Nanowires". Journal of Nanoparticle Research, 19:53, 2017.
1. Jiaqi Wang, Seungha Shin*, Anming Hu, "Geometrical Effects on Sintering Dynamics of Cu-Ag Core-Shell Nanoparticles". The Journal of Physical Chemistry C, 120, 17791-17800, 2016.
