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： 导电纳米复合材料的计算机模拟与人工智能研究 二、主要承担项目： 1.国家自然科学基金委面上项目：2027.01-2030.12；50万元；在研 2.国家自然科学基金委面上项目；2023.01.-2026.12；56万元；在研 3.辽宁省自然科学基金面上项目；2025.07-2027.07；8万元；在研 4.国家科学技术部外国专家项目；2022.01-2023.12；30万元；结题 三、代表性论文： 1. Graph Attention Networks Decode Conductive Network Mechanism and Accelerate Design of Polymer Nanocomposites, npj Computational Materials, 2025, 11, 280/1-14. 2. Local Density Field as a Physical Order Parameter for Conductivity Prediction in Block Copolymer/Carbon Nanotube Nanocomposites via a Voxel-Based Graph Attention Network, Macromolecules, 2026, 59, 3257-3272. 3. Strategic Regulation of Carbon Nanotube Dispersion with Triblock Copolymer Phase Domains: Insights from Molecular Simulations, Chinese Journal of Polymer Science, 2025, 43(3), 517-532. 4. 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. 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. |
