2 papers
cond-mat.mtrl-sci2026
SLUSCHI-UP: A Web Infrastructure for SLUSCHI Melting-Temperature Calculations Using Universal Machine-Learning Interatomic Potentials
Qi-Jun Hong
Melting temperature is a critical property for high-temperature materials design, but first-principles melting calculations based on finite-temperature molecular dynamics can requi…
cond-mat.mtrl-sci2025
Extending SLUSCHI for Automated Diffusion Calculations
Qi-Jun Hong, Qing Chen, Ligen Wang +6
We present an extension of the SLUSCHI package (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) to enable automated diffusion calculations from first-principl…