ArticleProceedings of the National Academy of Sciences of the United States of America2020
Dielectric response with short-ranged electrostatics.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- A unified machine-learning framework for ab initio multiscale modeling of liquids.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Metadensity Functional Learning for Classical Fluids: Regularizing with Pair Correlations.The journal of physical chemistry. B · 2026Article
- Foundation models for atomistic simulation of chemistry and materials.Nature reviews. Chemistry · 2026Review
- Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Surface stratification determines the interfacial water structure of simple electrolyte solutions.Nature chemistry · 2024Article
- Dielectric response of thin water films: a thermodynamic perspective.Chemical science · 2022Article
- Self-consistent determination of long-range electrostatics in neural network potentials.Nature communications · 2022Article
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1 author.
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Abstract
The dielectric nature of polar liquids underpins much of their ability to act as useful solvents, but its description is complicated by the long-ranged nature of dipolar interactions. This is particularly pronounced under the periodic boundary conditions commonly used in molecular simulations. In this article, the dielectric properties of a water model whose intermolecular electrostatic interactions are entirely short-ranged are investigated. This is done within the framework of local molecular-field theory (LMFT), which provides a well-controlled mean-field treatment of long-ranged electrostatics. This short-ranged model gives a remarkably good performance on a number of counts, and its apparent shortcomings are readily accounted for. These results not only lend support to LMFT as an approach for understanding solvation behavior, but also are relevant to those developing interaction potentials based on local descriptions of liquid structure.
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