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Atomic cluster expansion without self-interaction

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Publication:6614977
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DOI10.1016/j.jcp.2024.113271MaRDI QIDQ6614977

Timon S. Gutleb, Christoph Ortner, Unnamed Author

Publication date: 8 October 2024

Published in: Journal of Computational Physics (Search for Journal in Brave)





Mathematics Subject Classification ID

Numerical methods for partial differential equations, boundary value problems (65Nxx) Approximations and expansions (41Axx) Applications of quantum theory to specific physical systems (81Vxx)


Cites Work

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  • On the stability and accuracy of least squares approximations
  • Atomic cluster expansion: completeness, efficiency and stability
  • QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model
  • Locality of interatomic forces in tight binding models for insulators
  • On Polynomial Multiplication in Chebyshev Basis
  • Multivariate polynomial approximation in the hypercube
  • Linearization of the Product of Jacobi Polynomials. I
  • Machine Learning and Invariant Theory
  • A theoretical case study of the generalization of machine-learned potentials
  • Polynomial approximation of symmetric functions
  • A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion







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