7 citations · 13 across the 2 of their papers we have counts for
3 papers
physics.chem-ph2025
Finding the best density functionals for water: benchmarking the forces
Shifan Cui
A DFT benchmark on water including more than 50 functionals from GGA to double-hybrid levels is reported. The main metric is the accuracy of forces, allowing better structural cove…
physics.chem-ph2022★ 6 cited
Transition dynamics and metastable states during premelting and freezing of ice surfaces
Shifan Cui, Haoxiang Chen
The premelting of ice is well known, but little is known about how the premelted and solid surfaces convert to each other. In this work, the transition dynamics between two phases…
physics.chem-ph2021★ 7 cited
Premelting layer during ice growth: role of clusters
Shifan Cui, Haoxiang Chen, Zhengpu Zhao
The premelting plays an important role in ice growth, but there is a significant gap in our knowledge between the atomistic premelting surface structure and the macroscopic growth…