2 citations · 2 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2024
Computational investigation of formation enthalpies and phase stability for rare earth oxyphosphates
Edric X. Wang, Ligen Wang, Qi-Jun Hong
Rare earth phosphates have garnered significant interest due to their versatile properties, including high chemical stability, thermal resistance, luminescence, and the ability to…
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…
physics.comp-ph2024★ 2 cited
A generalized approach for rapid entropy calculation of liquids and solids
Qi-Jun Hong, Zi-Kui Liu
We build a comprehensive methodology for the fast computation of entropy across both solid and liquid phases. The proposed method utilizes a single trajectory of molecular dynamics…