3 papers
physics.plasm-ph2025
Thermal and Electrical Conductivities of Aluminum Up to 1000 eV: A First-Principles Prediction
Qianrui Liu, Xiantu He, Mohan Chen
Accurate prediction of the thermal and electrical conductivities of materials under extremely high temperatures is essential in high-energy-density physics. These properties govern…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2024
Effects of Non-local Pseudopotentials on the Electrical and Thermal Transport Properties of Aluminum: A Density Functional Theory Study
Qianrui Liu, Mohan Chen
Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula…