Computer Simulation and Machine Learning


发布时间:2025-07-31


By integrating theoretical approaches, computational simulation, AI/ML, and synchrotron-based techniques, an intelligent R&D platform of “data generation → intelligent analysis → inverse design” is established. This platform enables the creation of a new paradigm for polymer film research that combines physics-based principles with data-driven insights. It aims to elucidate the molecular mechanisms and mechanical response rules of phase transitions such as polymer crystallization, phase separation, and glass transition. The research topics include:

1. Physical mechanisms of polymer crystallization, phase separation, and glass transition.

2. Microscopic mechanisms underlying the macroscopic mechanical behavior of polymer melts, semicrystalline polymers, rubbers, and glasses.

3. Intelligent analysis of high-throughput X-ray scattering data.

4. Big data mining → performance prediction → inverse design of novel functional polymer films.







1. 高分子结晶、相分离、玻璃化转变等物理机制




2. 高分子熔体、半晶、橡胶及玻璃态下宏观力学行为的微观机理






3. 高通量X射线散射数据智能分析







4. 大数据挖掘-性能预测-新型功能高分子薄膜的逆向设计













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