Liang Zhang


Ph.D., The University of Texas at Austin (2014)

Professional activities

Member: American Chemical Society (ACS)

Member: American Institute of Chemical Engineers (AIChE)

Current Research

Research at Dr. Zhang’s lab focuses on developing theoretical frameworks and computational methods to accelerate the discovery of materials. In particular, we are interested in catalytic materials and other functional materials that enable efficient chemical transformation and energy storage.  We run virtual experiments on High Performance Computing (HPC) clusters, where chemical reactions or materials are simulated at the atomic scale.  Current research interests are:

  1. Core/shell materials: the structure-property correlation, understanding based on the electronic structure, stability assessment.
  2. Computational design of catalytic materials for CO2 reduction,  H2/O2-H2O electrochemical conversion and other chemical transformation and energy storage applications.
  3. Developing methods that enable a dynamic understanding of nanoparticle catalysis: the coupling between the morphologic evolution of the particle and its catalytic performance.
  4. Developing a general multi-scale computational framework to model catalytic combustion processes.

Previous Positions

2016-2018 Postdoctoral Research Associate, University of Pennsylvania
2015-2016 Postdoctoral Research Associate, Stanford University
2014-2015 Postdoctoral Research Associate, UT Austin
2009-2014 Graduate Research Assistant, UT Austin
2011-2013 Research Educator, Freshman Research Initiative, UT Austin

Selected Publications (Google Scholar)