Dequan Xiao*, Ingolf Warnke, Jason Bedford, and Victor S. Batista, "Inverse Molecular Design for Materials Discovery"

RSC Specialist Periodical Report Chemical Modelling, 10, 2014, 1-31.

Dequan Xiao*, Lauren A. Martini, Robert C. Snoeberger III, Robert H. Crabtree*, and Victor S. Batista*, "Inverse Design and Synthesis of acac-Coumarin Achors for Robust TiO2 Sensitization",

Journal of the American Chemical Society, 133(23),2011, 9014-9022.

Dequan Xiao, Weitao Yang, and David N. Beratan, "Inverse Molecualr Design in A Tight-Binding Framework"

Journal of Chemical Physics, 129(4), 2008, 044106.