261 citations
- China Academy of Engineering PhysicsCN48 papers
- Peking UniversityCN14 papers
- Institute of High Energy PhysicsCN12 papers
- Sichuan UniversityCN9 papers
- Tohoku UniversityJP8 papers
- Chinese Academy of EngineeringCN6 papers
- Chinese Academy of SciencesCN6 papers
- Institute of Applied Physics and Computational MathematicsCN6 papers
- Tsinghua UniversityCN6 papers
- Anhui UniversityCN5 papers
- Institute of PhysicsPL5 papers
- Southwest University of Science and TechnologyCN5 papers
44 papers · 1 filter
Pressure induced Structure Change and Anomalies in Thermodynamic Quantities and Transport Properties in Liquid Lithium Hydride
X. Z. Yan, Y. M. Chen, Hua Y. Geng +5
Understand the nature of liquid structure and its evolution under different conditions is a major challenge in condensed physics and materials science. Here, we report a pressure-i…
Prediction of Superionic State in LiH2 at Conditions Enroute to Nuclear Fusion
Fude Li, Hao Wang, Jinlong Li +1
Hydrogen and lithium, along with their compounds, are crucial materials for nuclear fusion research. High-pressure studies have revealed intricate structural transitions in all the…
Full Temperature-Dependent Potential and Anharmonicity in Metallic Hydrogen: Colossal NQE and the Consequences
Hua Y. Geng
The temperature-dependent effective potential (TDEP) method for anharmonic phonon dispersion is generalized to the full potential case by combining with path integral formalism. Th…
Comparative study of first-principles approaches for effective Coulomb interaction strength between localized -electrons: lanthanide metals as an example
Bei-Lei Liu, Yue-Chao Wang, Yu Liu +6
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles ca…
Lattice dynamics and elastic properties of alpha-U at high-temperature and high-pressure by machine learning potential simulations
Hao Wang, Xiao-Long Pan, Yu-Feng Wang +3
Studying the physical properties of materials under high pressure and temperature through experiments is difficult. Theoretical simulations can compensate for this deficiency. Curr…
MyElas: An automatized tool-kit for high-throughput calculation, post-processing and visualization of elasticity and related properties of solids
Hao Wang, Y. C. Gan, Hua Y. Geng +1
Elasticity is one of the most fundamental mechanical properties of solid. In high-throughput design of advanced materials, there is an imperative demand for the capability to quick…