@misc{indiciae9573776e8c82,
  title = {Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs},
  author = {Sivonxay, Eric [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Attia, Lucas [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)] (ORCID:0000000299413846) and Spotte-Smith, Evan Walter Clark [Carnegie Mellon Univ., Pittsburgh, PA (United States)] (ORCID:000000031554197X) and Sanchez-Lengeling, Benjamin [Univ. of Toronto, ON (Canada); Vector Inst. for Artificial Intelligence, Toronto, ON (Canada); Google DeepMind, Cambridge, MA (United States)] and Xia, Xiaojing [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry] and Barter, Daniel [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] and Chan, Emory M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry] (ORCID:0000000256550146) and Blau, Samuel M. [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)] (ORCID:0000000331323032)},
  year = {2025},
  doi = {10.1038/s43588-025-00917-3},
  url = {https://www.osti.gov/biblio/3022489},
  note = {Source identifier: 3022489}
}