Welcome to Nan Research Lab

We aim to address complex energy and sustainability challenges through cutting-edge computational approaches. Our research targets critical problems such as next-generation battery development, molecular separations, and advanced materials design.

We develop and apply computational chemistry methods, from quantum mechanics (QM) and molecular dynamics simulations (MD) to machine learning (ML) and artificial intelligence AI, to provide molecular-scale insights that drive innovation in energy and chemical engineering.

We are always looking for motivated students and collaborators. If you are interested in joining our group, please contact PI Dr. Yiling Nan at yiling.nan@ku.edu