Presentation Information

[Th-A1-B-01]High thermal anisotropy in Janus MoSSe stacks via data-driven flipping engineering

〇Xin Wu1, Masahiro Nomura1 (1. The Univ. of Tokyo (Japan))
We proposed flipping engineering as a programmable stacking strategy enabled by Janus symmetry breaking. Through the data-driven workflow integrating machine-learned molecular dynamics with Bayesian optimization, an optimized MoSSe stack was identified with a thermal anisotropy ratio of about 760.