Yingying Zhang

• Conducted in-depth investigations into the stacking, electronic, and topological properties of 2D polymers employing DFT, DFTB, and force field methods. • Collaborated closely with experimental groups to predict and simulate COFYMOF geometry structures, unveiling novel properties and striving to align computational results with experimental findings. • Developed a Python-based structure builder for statistically stacked models, enhancing research efficiency and precision.