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Updated: Dec 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Simplified unified wave-particle method with quantified model-competition mechanism for numerical calculation of

Sha Liu1,2, Chengwen Zhong1,2, Ming Fang3

  • 1National Key Laboratory of Science and Technology on Aerodynamic Design and Research, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, China.

Physical Review. E
|August 16, 2020
PubMed

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