21 citations · 38 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2025★ 1 cited
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…
physics.plasm-ph2023★ 16 cited
Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter
Tao Chen, Qianrui Liu, Yu Liu +2
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extr…
cond-mat.mtrl-sci2022★ 21 cited
Modeling the High-Pressure Solid and Liquid Phases of Tin from Deep Potentials with ab initio Accuracy
Tao Chen, Fengbo Yuan, Jianchuan Liu +4
Constructing an accurate atomistic model for the high-pressure phases of tin (Sn) is challenging because properties of Sn are sensitive to pressures. We develop machine-learning-ba…