Refining coarse-grained molecular topologies: a Bayesian optimization approach. - Ray, Pranoy; Generale, Adam P.; Vankireddy, Nikhith; Asoma, Yuichiro; Nakauchi, Masataka; Lee, Haein; Yoshida, Katsuhisa; Okuno, Yoshishige; Kalidindi, Surya R. (NPJ Computational Materials, 2025)