Diana Qiu

Diana Qiu is an Assistant Professor of Mechanical Engineering at Yale University, affiliated with the WC Energy Sciences Center. Her research focuses on quantum materials, particularly the control of excitations and macroscopic properties through light-matter interactions and many-electron correlations. She develops first-principles quantum physics methods leveraging high-performance computing to predict material behaviors in optoelectronics, quantum information, and energy research.

Key research interests include exciton transport, time-dependent phenomena, heterojunctions, and defects in 2D materials. Her work addresses fundamental processes such as exciton thermalization, coherence, and ultrafast optical responses. Projects involve designing novel materials for tunable excitonic properties and exploring phenomena like moiré-tunable band alignment in heterobilayers.

Her computational approaches include Bethe-Salpeter equation formalisms, time-dependent GW methods, and machine learning integration for many-body interactions. Notable grants include the NSF CAREER Award for real-time first-principles studies of high-harmonic generation in solids. She collaborates on scalable synthesis of monolayer materials and investigates nuclear quantum effects in liquid water using advanced DFT techniques.

Recent publications highlight advancements in exciton-polaritons, defect interactions, and scalable simulation frameworks like MBFormer. Her work bridges theoretical predictions with experimental validation, emphasizing practical applications in energy storage and quantum technologies.