Center for the Computational Design of Functional Layered Materials (CCDM)

CCDM Header


John Perdew

Lead Institution

Temple University

Year Established



To design new or defect-engineered functional layered materials on the computer, for applications such as solar cells, batteries, and catalysts to generate hydrogen fuel or to convert carbon dioxide to methanol.

Research Topics

catalysis (heterogeneous), solar (photovoltaic), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, mechanical behavior, materials and chemistry by design, synthesis (novel materials)

Materials Studied

Materials: semiconductor, oxide, optoelectronic and metamaterial

Interfaces: semiconductor/semiconductor, gas/solid, liquid/solid

Nanostructured Materials: 2D

Experimental and Theoretical Methods

scanning probe microscopy, surface science, ultrafast physics, molecular dynamics (MD), density functional theory (DFT), quantum mechanics, multiscale modeling, high-throughput screening methods


Partner Institutions

  • Brookhaven National Laboratory
  • Drexel University
  • Duke University
  • North Carolina State University
  • Northeastern University
  • Princeton University
  • Rice University
  • Temple University
  • University of Pennsylvania
  • University of Texas at El Paso 

BES Staff Contact

Michael Pechan

Last modified: 1/5/2017 5:50:11 PM