TY  - RPRT
TI  - Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications
AU  - Way, Lauren [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)]
AU  - Spataru, Catalin Dan [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)]
AU  - Jones, Reese Edward [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)] (ORCID:0000000223326279)
AU  - Trinkle, Dallas R. [Univ. of Illinois at Urbana-Champaign, IL (United States)]
AU  - Rowberg, Andrew J. E. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000229286917)
AU  - Varley, Joel B. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000253845248)
AU  - Wexler, Robert B. [Washington Univ., St. Louis, MO (United States)] (ORCID:0000000268616421)
AU  - Smyth, Christopher Michael [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000346689555)
AU  - Douglas, Tyra Chenice [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000211426846)
AU  - Bishop, Sean Robert [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000213331859)
AU  - Fuller, Elliot James [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)] (ORCID:0000000179128688)
AU  - McDaniel, Anthony Harrison [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)]
AU  - Lany, Stephan [National Renewable Energy Laboratory (NREL), Golden, CO (United States)] (ORCID:0000000281278885)
AU  - Witman, Matthew David [Sandia National Laboratories (SNL-CA), Livermore, CA (United States)] (ORCID:0000000162635114)
PY  - 2025
DO  - 10.1021/acs.chemmater.5c00021
UR  - https://www.osti.gov/biblio/2588486
ID  - 2588486
ER  -