Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs. - Eric Sivonxay; Lucas Attia; Evan Walter Clark Spotte-Smith; Benjamín Sánchez-Lengeling; Xiaojing Xia; Daniel Barter; Emory M. Chan; Samuel M. Blau (Nat. Comput. Sci., 2026)