2 papers
cond-mat.mtrl-sci2026
Remote epitaxy beyond polarity
Ching-Tai Fu, Pei-Jan Hung, Xudong Li +21
Remote epitaxy through a monolayer two-dimensional material-covered substrate establishes a crystallographic registry across the van der Waals (vdW) surface that enables the epitax…
cond-mat.mtrl-sci2023
First-principles molten salt phase diagrams through thermodynamic integration
Tanooj Shah, Kamron Fazel, Jie Lian +3
Precise prediction of phase diagrams in molecular dynamics (MD) simulations is challenging due to the simultaneous need for long time scales, large length scales and accurate inter…