DOE Theory Focus Session on Hydrogen Storage Materials

The U.S. Department of Energy, through the Office of Science (Basic Energy Sciences) and the Office of Energy Efficiency and Renewable Energy (Fuel Cell Technologies) held a Theory Focus Session on Hydrogen Storage Materials on May 18, 2006 in Crystal City, Va., in conjunction with the DOE Hydrogen Program Annual Merit Review. The meeting provided an opportunity for experts in the field to present and discuss the current state-of-the-art, technical progress and key barriers in theory/modeling approaches related to hydrogen storage materials.

The following documents are available as Adobe Acrobat PDFs. Download Adobe Reader.



  • Predictions of New Hydrogen Storage Compounds and Mixtures, Vidvuds Ozolin┼í, UCLA (PDF 1.8 MB)
  • Prediction of Novel Hydrogen Storage Reactions, Kazutoshi Miwa, Toyota CRDL (PDF 1.7 MB)
  • Solid-State (Metal and Complex) Hydrides, Susanne Opalka, UTRC (PDF 832 KB)
  • Chemical Hydrides, Dave Dixon, University of Alabama (PDF 693 KB)
  • Weakly-Bound/Physisorbed Materials, Andrew Williamson, LLNL (PDF 837 KB)
  • Simulation of Kinetic Events at the Atomic Scale, Graeme Henkelman, Texas (PDF 1.2 MB)
  • Accelerated Dynamics Methods for Infrequent Events, Art Voter, LANL (PDF 679 KB)
  • Chemical Kinetics, Mechanics, and Microstructure Evolution in Solid Hydrogen Storage Media, Anter El-Azab, Florida State (PDF 837 KB)


  • Theory Focus Session Summary Report (PDF 207 KB)