1. Tang Sui, Shaolong Liu, Bihui Cong, Xiaoke Xu, Dongjing Shan, Giuseppe Milano, Ying Zhao*, Shuang Xu*, Jiashun Mao*, Graph Attention Networks Decode Conductive Network Mechanism and Accelerate Design of Polymer Nanocomposites, npj Computational Materials, 11 (2025) 280/1-14. 2. Shao-Long Liu, Tang Sui, Shuang Xu, Xiao-ke Xu, Giuseppe Milano, Ying Zhao*, You-Liang Zhu*, Bao-Sheng Cao*, Strategic Regulation of Carbon Nanotube Dispersion with Triblock Copolymer Phase Domains: Insights from Molecular Simulations, Chinese Journal of Polymer Science, 43 (2025) 517-532. 3. Ying Zhao*, Su-Min Ma, Bin Li, Antonio De Nicola, Nai-Sen Yu, Bin Dong*, Micellization of Pluronic P123 in Water/Ethanol/Turpentine Oil Mixed Solvents: Hybrid Particle-Field Molecular Dynamic Simulation, Polymers, 11(2019), 1806/1-15. 4. Liang Sun, Jiashun Mao, Ying Zhao*, Chunsha Quan*, Meiling Zhong, Shengdi Fan, Coarse-grained Molecular Dynamics Simulation of Interactions Between Cyclic Lipopeptide Bacillomycin D and Cell Membranes, Molecular Simulation, 44 (2018) 364-376. 5. Ying Zhao, Maksym Byshkin, Yue Cong, Toshihiro Kawakatsu, Liberata Guadagno, Antnonio De Nicola, Naisen Yu, Giuseppe Milano*, Bin Dong*, Self-assembly of Carbon Nanotubes in Polymer Melts: Simulation of Strucutural and Electrical Behaviour by Hybrid Particle-Field Molecular Dynamics, Nanoscale, 8 (2016) 15538-15552. 6. Ying Zhao*, Giuseppe Milano, Yue Cong, Naisen Yu, Yangyang He, Yan Cong, Qing Yuan, Bin Dong*, Self-Assembled Morphologies and Percolation Probability of Mixed Carbon Fillers in the Diblock Copolymer Template: Hybrid Particle-Field Molecular dynamics Simulation, The Journal of Physical Chemistry C, 119 (2015) 25009-25022. 7. Bo-Shen Xu, Ying Zhao*, Xian-Liang Shen, Yue Cong, Xiu-Mei Yin, Xin-Peng Wang, Qing Yuan, Nai-sen Yu, Bin Dong*, Dissipative Particle Dynamics Simulation of Multicompartment Micelles Self-Assembled from a Blend of Triblock Copolymers and Diblock Copolymers in an Aqueous Solution, Acta Phys.-Chim. Sin., 30 (2014) 646-653. 8. Ying Zhao*, Antonio De Nicola, Toshihiro Kawakatsu, and Giuseppe Milano*, Hybrid Particle-Field Molecular Dynamics Simulations: Parallelization and Benchmarks, Journal of Computational Chemistry, 33 (2012) 868-880. 9. Ying Zhao, Li-Yan You, Zhong-Yuan Lu*, Chia-Chung Sun, Dissipative Particle Dynamics Study on the Multicompartment Micelles Self-Assembled from the Mixture of Diblock Copolymer Poly(ethyl ethylene)-block-poly(ethylene oxide) and Homopolymer poly(propylene oxide) in aqueous solution, Polymer, 50 (2009) 5333-5340. 10. Ying Zhao, Xie Yu, Zhong-Yuan Lu*, Chia-Chung Sun, Dissipativel Particle Dynamics Simulation of Physical Gelation Behavior of P123 (PEO20-PPO70-PEO20) Block Copolymer Aqueous Solution, Chemical Journal of Chinese Universities, 30 (2009) 2455-2459. 11. Ying Zhao, Ying-Tao Liu, Zhong-Yuan Lu*, Chia-Chung Sun, Effect of Molecular architecture on the Morphology Diversity of the Multi-Compartment Micelles: A Dissipative Particle Dynamics Simulation Study, Polymer, 49 (2008) 4899-4909. 12. Ying Zhao, Hong Liu, Zhong-Yuan Lu*, Chia-Chung Sun, Dissipative Particle Dynamics Simulations of Domain Growth and Phase Separation in Binary Immiscible Fluids, Chinese Journal of Chemical Physics, 21 (2008) 451-456. 13. Giuseppe Milano, Agur Sevink G. J., Zhong-Yuan Lu, Ying Zhao, Antonio De Nicola, Gianmarco Munaò and Toshihiro Kawakatsu, Hybrid Particle-Field Molecular Dynamics: A Primer. In: Yanez, Manuel and Boyd, Russell J. (eds.) Comprehensive Computational Chemistry, 3(2024) 636-659. Oxford: Elsevier. 14. 董玉瑛,李乐,赵英,陈玉婷,焦健,陈东纪,柏雨,一种预测污染物与生物膜之间相互作用的方法,发明专利,专利号:ZL202210915030.X,授权公告日:2025年03月04日。 |