2 citations · 2 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2025
Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts
Shun-Li Shang, Nigel L. E. Hew, Rushi Gong +6
We have recently developed a breakthrough methodology for rapidly computing entropy in both solids and liquids by integrating a multiscale entropy approach (known as zentropy theor…
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…