Notes:
- # co-first author; * corresponding author
- Locate to the bottom for conference/guest talks
2024 and the future
26. Ye Liu, Qi Xie, Yiqun Lu, Jiangwei Zhou, Ye Liu, Jiaqi Wang*, "Secondary Structure Prediction of Short Peptides".
25. Shujia Liu, Jiaqi Wang*, Meng Zhao*, " High-Throughput Screening of Peptide Inhibitors of PHLDA1".
24. Xinyuan Chen, Xueqing He*, Jiaqi Wang*, "High-Throughput Screening of Short Peptides for Preventing Brown Planthopper".
23. Shuang Zhao, Yuanjun Sun*, Tao Lu*, Jiaqi Wang*, "Self-Assembled Tripeptide Vesicles for Drug Delivery".
22. Meiru Yan, Zhihui Zhu, Jiaqi Wang*, Haojin Zhou*, "Uniform Design for Improving Prediction Accuracy of Properties of Short Peptides".
21. Zhihui Zhu, Meiru Yan, Haojin Zhou*, Jiaqi Wang*, "Design of Experiment for Improving Prediction Accuracy of Self-Assembly Peptides".
20. Zihan Liu#, Jiaqi Wang#, Ge Wang, Jiangbin Zheng, Stan Z. Li*, "Harnessing Feature Attribution Insights for Peptide Modeling Framework Enhancement". Submitted, 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, in press, 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.
Conference/Guest Talks
14. 汪嘉琪，“基于分子动力学和人工智能的多肽医药功能材料从头设计”，2024易贸生物产业大会，江苏苏州，中国，3.14-3.16，2024.
13. Jiaqi Wang, "De Novo Design of Peptide Drugs with Molecular Dynamics and Artificial Intelligence", WISDOM SCHOOL talk, XJTLU, Suzhou, Jiangsu, China, Dec 13, 2023.
12. Jiaqi Wang, "AI- and MD-assisted Design of Peptide Hydrogels", Invited by Dr. Yue Hui & Prof. Chunxia Zhao, Adelaide University, Adelaide, Australia, Sep 18, 2023.
11. Jiaqi Wang, Wenbin Li*, "Accelerated Discovery and Design of Peptide Hydrogels with Machine Learning" (presentation). Chinese Materials Conference 2023, Shenzhen, Guangdong, China, July 06-11, 2023.
10. Jiaqi Wang, "Sharing of Research Interests, Mindset and Funding Application Experience of NSFC Young Scholar Program", SOE Research Seminar Series one, Westlake University, Hangzhou, Zhejiang, China, Oct 21, 2021.
9. Jiaqi Wang, Wenbin Li*, "Accelerating Simulation Clock of Ab Initio Molecular Dynamics with Recurrent Neural Network" (presentation). Chinese Materials Conference 2021, Xiamen, Fujian, China, July 08-12, 2021.
8. Jiaqi Wang, "Peptide Modelling and Design", The First Postdoctoral Academic Exchange Meeting of SOE, Westlake University, Hangzhou, Zhejiang, China, March 05, 2021.
7. Jiaqi Wang, "Applications of Machine Learning in Atomistic Simulations". Invited by Prof. Shutong Wang, Sichuan University, Chengdu, China, Nov 17, 2020.
6. Jiaqi Wang, Seungha Shin*, Ali Y. Nobakht, J. Dean Blanks, Hassan Rezayat, Dongwon Shin, Sangkeun Lee, Amit Shyam, "Thermal Transport Analysis of Aluminum Alloy Using Machine Learning Technique” (presentation). ASME 2019 Summer Heat Transfer Conference, Bellevue, Washington, USA, July 14-17, 2019.
5. Jiaqi Wang, Seungha Shin*, Anming Hu, Jackson K. Wilt, "Molecular Simulations of Transient Liquid Phase Bonding of Ni-based Superalloy with Ni Nanoparticles” (presentation). Materials Science & Technology 2018, Columbus, Ohio, USA, October 14-18, 2018.
4. Ali Y. Nobakht, Seungha Shin*, Jiaqi Wang, "Asymmetric Thermal Transport by Adjusting Structural Defects” (proceeding). 2018 Joint Thermophysics and Heat Transfer Conference, Atlanta, Georgia, USA, June 25-29, 2018.
3. Jiaqi Wang, Seungha Shin*, "Joining of Cu-Ag Core-Shell Nanoparticles and Nanowires at Room Temperature: A Molecular Dynamics study"; "A Molecular Dynamics Study of Geometrical and Temperature Effects on Sintering Dynamics of Cu-Ag Core-Shell Two-Nanoparticles Model"; "Sintering Dynamics and Sintered Structure Properties of Cu-Ag Core-Shell Multiple-Nanoparticles Model and Properties of Nanoparticle-Sintered Structures" (presentations), ASME InterPack 2017, San Francisco, California, USA, August 29-September 1, 2017.
2. Jiaqi Wang, Seungha Shin*, "Room Temperature Molecular Dynamics Simulations on the Sintering of Cu-Ag Core-Shell Structures: Nanoparticles and Nanowires" (proceeding). Materials Science & Technology 2016, Salt Lake City, Utah, USA, October 23-27, 2016.
1. Jiaqi Wang, Sheng-Chung Tzeng*, "Experimental Study in Generating Power of Thermo-Electric Conversion System with Novel Porous Medium Heat Absorbers" (proceeding). The 21st Tri-University International Joint Seminar and Symposium 2014, Chiang Mai, Thailand, November 2-7, 2014.
