Center for Next Generation of Materials by Design: Incorporating Metastability (CNGMD)

CNGMD Header


William Tumas

Lead Institution

National Renewable Energy Laboratory

Year Established



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), solar (thermal), solid state lighting, phonons, thermoelectric, hydrogen and fuel cells, defects, charge transport, optics, materials and chemistry by design, synthesis (novel materials), synthesis (atomic layer deposition)

Materials Studied

Materials: semiconductor, organic semiconductor, wide band-gap semiconductor, metal, oxide, optoelectronic and metamaterial, transparent conductor

Interfaces: organic/semiconductor, metal/semiconductor, metal/oxide, semiconductor/semiconductor, liquid/solid, solid/solid

Nanostructured Materials: 1D, 2D, 3D

Experimental and Theoretical Methods

X-ray diffraction and scattering, X-ray spectroscopy, electron microscopy, scanning probe microscopy, near-field scanning optical microscopy, surface science, laser diagnostics, molecular dynamics (MD), density functional theory (DFT), quantum mechanics, multiscale modeling, next generation optimization methods, high-throughput screening methods


Partner Institutions

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

BES Staff Contact

Michael Pechan

Last modified: 10/18/2016 9:29:05 AM