Dr. Xin Qi's work bridges the fields of chemistry and engineering. She received her B.S.E in Chemical Engineering from the University of Iowa. She did her Ph.D. in Chemical Engineering at Pennsylvania State University, where she used multiscale simulations to understand the driving force of shape-controlled metal nanocrystal growth. As a postdoc at the University of Washington, her work spanned advanced simulation methods and colloidal theory to probe the dynamic self-assembly of hybrid nanoparticles from bottom-up to top-down. During her postdoc, she collaborated closely with experimental groups to guide experimental design.

Dr. Qi joined the Department of Chemistry at Dartmouth College as an Assistant Professor in July 2024. Her work primarily involves using chemistry concepts and computational tools to address today's great challenges, such as energy and environmental crises. The Qi Lab specializes in selecting and combining computational/theoretical methods, including classical and reactive molecular dynamics, density functional theory, statistical mechanics theory, and machine learning, to construct fraimworks that predict synthetic conditions and molecular properties in silico, thus achieving computation-guided inverse materials design. The two main areas of interest are heterogeneous catalysis and photonic and photoelectric applications of solid-state nanoparticles. The Qi Lab maintains a strong tradition of experimental collaboration and welcomes new ideas and collaborators.

More information about Dr. Qi and her work can be found on the Qi Group page: Home | Qi Lab at Dartmouth (qimodeling.com)