2 papers
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…
cond-mat.mtrl-sci2024
Accelerating material melting temperature predictions by implementing machine learning potentials in the SLUSCHI package
Audrey CampBell, Ligen Wang, Qi-Jun Hong
The SLUSCHI (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) automated package, with interface to the first-principles code VASP (Vienna Ab initio Simulation…