Congratulations to Shukai Yao on successfully completing his PhD under Professors Alejandro Strachan and Peilin Liao. His research focused on tackling challenges in the computational prediction of material properties at multiple scales and opens up the possibility for novel electronic applications based on MXenes and perovskites, and provides molecular insights of polyacrylonitrile-based carbon fiber processing, paving the way for producing fibers with a higher strength.