Qianrui Liu

Peking University — China

Materials Science · Physical Sciences

5h-index132citations12works2.72yr avg
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Research Topics

Machine Learning in Materials Science(6), Advanced Chemical Physics Studies(5), High-pressure geophysics and materials(4), Thermal properties of materials(4), Advanced Thermoelectric Materials and Devices(2)

Publications12 total

ABACUS: An electronic structure analysis package for the AI era
The Journal of Chemical Physics·2025· 2 cited
First-principles prediction of shock Hugoniot curves of boron, aluminum, and silicon from stochastic density functional theory
Matter and Radiation at Extremes·2025· 1 citedOpen Access
ABACUS: An Electronic Structure Analysis Package for the AI Era
arXiv (Cornell University)·2025· 1 citedOpen Access
Effects of nonlocal pseudopotentials on the electrical and thermal transport properties of aluminum: A density functional theory study
Physical review. B./Physical review. B·2024
Effects of Non-local Pseudopotentials on the Electrical and Thermal Transport Properties of Aluminum: A Density Functional Theory Study
arXiv (Cornell University)·2024Open Access
Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter
Matter and Radiation at Extremes·2024· 12 citedOpen Access
Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter
arXiv (Cornell University)·2023Open Access
Plane-wave-based stochastic-deterministic density functional theory for extended systems
Physical review. B./Physical review. B·2022· 9 citedOpen Access
Thermal transport by electrons and ions in warm dense aluminum: A combined density functional theory and deep potential study
Matter and Radiation at Extremes·2021· 25 citedOpen Access
Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics
Physics of Plasmas·2020· 44 cited
Thermal Transport by Electrons and Ions in Warm Dense Aluminum: A Combined Density Functional Theory and Deep Potential Study
arXiv (Cornell University)·2020Open Access
Structure and dynamics of warm dense aluminum: a molecular dynamics study with density functional theory and deep potential
Journal of Physics Condensed Matter·2019· 38 cited

Frequent Co-authors

Mohan Chen(12), Tao Chen(4), Denghui Lu(3), Yuzhi Zhang(2), Chang Gao(2), Junyi Li(2), Yu Liu(2), Daye Zheng(2), Peize Lin(2), Xing‐Liang Peng(2), Jie Bao(2), Chun Cai(2), Jing Wu(2), Haochong Zhang(2), J. Gan(2), Zheng Shen(2), Xiaohui Liu(2), Liang Sun(2), Ming Sun(2), Jianchuan Liu(2)