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Simulations of dielectric permittivity of water by machine learned potentials with long-range Coulombic interactions

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Year: 2025
Type: article
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0294554
Authors: Kehan Cai, Chunyi Zhang, Xifan Wu
Institutions: Princeton University, Eastern Institute of Technology, Ningbo, Temple University
Language: English

Topic: Machine Learning in Materials Science
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, U.S. Department of Energy
Awards: G203625172, G42916606, MRI: Acquisition of a Flexible High-Performance Computing System for Data and Compute Driven Scientific Discovery, COMPUTATIONAL CHEMICAL SCIENCE CENTER: CHEMISTRY IN SOLUTION AND AT INTERFACES
OpenAlex ID: W4416169970
FWCI: 1.039
Cites: 42
Cited by: 5
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