Center for Next Generation of Materials Design (CNGMD)

CNGMD Header


William Tumas

Lead Institution

National Renewable Energy Laboratory




To dramatically transform the discovery of functional energy materials through multiple-property search, incorporation of metastable materials into predictive design, and the development of theory to guide materials synthesis

Research Topics

solar (photovoltaic), solar (fuels), solid state lighting, optics, phonons, hydrogen and fuel cells, defects, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (predictive)

Materials Studied

Materials: semiconductor, wide band-gap semiconductor, oxide, optoelectronic and metamaterial

Interfaces: inorganic/inorganic, liquid/solid

Nanostructured Materials: None

Experimental and Theoretical Methods

X-ray diffraction and scattering, X-ray spectroscopy, electron microscopy, scanning probe microscopy, high-throughput screening methods, molecular dynamics (MD), density functional theory (DFT), monte carlo (MC), machine learning, data science


Partner Institutions

  • Brookhaven National Laboratory
  • Colorado School of Mines
  • Harvard University
  • Lawrence Berkeley National Laboratory
  • National Renewable Energy Laboratory
  • Oregon State University
  • SLAC National Accelerator Laboratory
  • University of Colorado

BES Staff Contact

Michael Markowitz, Craig Henderson