TY  - RPRT
TI  - Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs
AU  - Sivonxay, Eric [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Attia, Lucas [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000299413846)
AU  - Spotte-Smith, Evan Walter Clark [Carnegie Mellon Univ., Pittsburgh, PA (United States)] (ORCID:000000031554197X)
AU  - Sanchez-Lengeling, Benjamin [Univ. of Toronto, ON (Canada); Vector Inst. for Artificial Intelligence, Toronto, ON (Canada); Google DeepMind, Cambridge, MA (United States)]
AU  - Xia, Xiaojing [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry]
AU  - Barter, Daniel [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)]
AU  - Chan, Emory M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry] (ORCID:0000000256550146)
AU  - Blau, Samuel M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000331323032)
PY  - 2025
DO  - 10.1038/s43588-025-00917-3
UR  - https://www.osti.gov/biblio/3022489
ID  - 3022489
ER  -