研究方向及代表性成果(学术论文、科研项目、科技奖励等) 一、研究方向: 材料的多尺度模拟 二、主要承担项目: 1.例:项目类型, 起止时间, 项目经费:金额,在研/结题。 1.国家自然科学基金面上项目,2023.01-2026.12, 56万元,在研。 2.辽宁省自然科学基金面上项目,2025.05-2027.05,8万元,在研。 三、代表性论文: 1.例:题目, 期刊, 年份, 卷期号, 页码. 1.第一通讯作者,Graph Attention Networks Decode Conductive Network Mechanism and Accelerate Design of Polymer Nanocomposites, npj Computational Materials, 2025, 11, 280/1-14. 2.第一通讯作者,Strategic Regulation of Carbon Nanotube Dispersion with Triblock Copolymer Phase Domains: Insights from Molecular Simulations, Chinese Journal of Polymer Science, 2025, 43, 517-532. 3.第四作者,Hybrid particle-field molecular dynamics: a primer. In: Yanez, Manuel and Boyd, Russell J. (eds.) Comprehensive Computational Chemistry, vol. 3, pp. 636–659. Oxford: Elsevier. 4.第一作者和第一通讯作者,Self-Assembly of Carbon Nanotubes in Polymer Melts: Simulation of Structural and Electrical Behaviour by Hybrid Particle-Field Molecular Dynamics Nanoscale, 2016, 8, 15538-15552. 5.第一作者和第一通讯作者,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, 2015, 119, 25009-25022. |