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Updated: May 8, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

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学习离子流体的经典密度函数

Anna T Bui1, Stephen J Cox2

  • 1University of Cambridge, Yusuf Hamied Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, United Kingdom.

Physical review letters
|April 25, 2025
PubMed
概括

机器学习增强了对离子流体的经典密度函数理论 (cDFT). 这种新方法准确地模拟了电解质溶液和离子液体,改善了理论化学预测.

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When a lump of clay is dropped into water, it sinks. But if the same lump of clay is molded into the shape of a boat, it starts to float. Because of its shape, the clay boat displaces more water than the lump and experiences a greater buoyant force, even though its mass is the same. The same holds true for steel ships. The average density of an object majorly determines if the object will float. If an object's average density is less than that of the surrounding fluid, it will float. The...
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