TY - RPRT TI - Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models AU - Schwalbe-Koda, Daniel [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA, Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, CA 90095, USA, Laboratory for Energy Applications for the Future (LEAF), Lawrence Livermore National Laboratory, Livermore, CA 94550, USA] (ORCID:0000000191760854) AU - Govindarajan, Nitish [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA, School of Chemistry, Chemical Engineering, and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore, Laboratory for Energy Applications for the Future (LEAF), Lawrence Livermore National Laboratory, Livermore, CA 94550, USA] (ORCID:0000000332275183) AU - Varley, Joel B. [Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA, Laboratory for Energy Applications for the Future (LEAF), Lawrence Livermore National Laboratory, Livermore, CA 94550, USA] PY - 2025 DO - 10.1039/d4dd00328d UR - https://www.osti.gov/biblio/2480604 ID - 2480604 ER -