Dequan Xiao is the director of Center for Integrative Materials Discovery. He joined the faculty of UNH in August 2013. He teaches the courses of Physical Chemistry and Laboratory, Basics of Computatioanl Chemistry, and Computational Chemistry. His research interest is focused on developing chemical theories and comptuatioanl methods to drive the experimental discovery of catalyst, polymer and molecular drug.

Dr. Xiao serves as a reviewer for the following journals: Journal of American Chemical Society, Green Chemistry, ACS Nano, Nature Communications, Nature-Scientific Data, Journal of Materials Chemistry,ACS Applied Materials and Interfaces, Journal of Physical Chemistry Letters, Journal of Physical Chemistry, RSC Advances, Journal of Applied Polymer Science, Journal of Molecular Modeling, Computational and Theoretical Chemistry, Molecules, Sensors & Actuators: B. Chemical, Computing in Science and Engineering, Journal of Chemical Theory an Computation, Journal of Inorganic Biochemistry, Solid-State Ionics, and Journal of Mathematical Bioscience.

Dr. Xiao serves as a reviwer for the following funding agents: National Science Foundation (NSF, USA), National Science Centre (NCN, Poland), NASA CT Space Grant Consortium .

His academic services include:

Campus Director, NASA Connecticut Space Grant Consortium (2014-2019) .

Chemistry Graduate Program Coordinator (2018-2022)

Chair of Department of Chemistry and Chemical and Biomedical Engineering (2022-present)








Chair of Department of Chemistry and Chemical and Biomedical Engineering, 2022-present

Chemistry Graduate Program Coordinator, 2018-2022

Campus Director, NASA CT Space Grant Consortium, 2014-2019

Jacob F. Buckman Chair, 2014-2019

University Research Scholar, 2016-2019


Postdoc, Yale University, 2009-2013

Ph.D., Duke University, 2009

M.S., University of Central Florida, 2003

M.S., Sichuan University (China), 1999

B.S., Sichuan University (China), 1996