ArticleInternational journal of molecular sciences2019
A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums.
Article in International journal of molecular sciences, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic Reactions.Journal of the American Chemical Society · 2026Article
- Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution.Journal of the American Chemical Society · 2025Article
- Hybrid classical/machine-learning force fields for the accurate description of molecular condensed-phase systems.Chemical science · 2023Article
- Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions.Journal of chemical theory and computation · 2023Article
- Single Particle Multipole Expansions From Micromagnetic Tomography.Geochemistry, geophysics, geosystems : G(3) · 2021Article
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Authors and funding
2 authors.
Funding
Abstract
We present a novel derivation of the multipole interaction (energies, forces and fields) in spherical harmonics, which results in an expression that is able to exactly reproduce the results of earlier Cartesian formulations. Our method follows the derivations of Smith (W. Smith,
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