Approximation of Anisotropic Pair Potentials Using Multivariate Interpolation.

ABSTRACT: The interaction between two particles with shape or interaction anisotropy can be modeled by using a pairwise potential energy function that depends on their relative position and orientation; however, this function is often challenging to mathematically formulate. Data-driven approaches for approximating anisotropic pair potentials have gained significant interest due to their flexibility and generality but often require large sets of training data, potentially limiting their feasibility when training data are computationally demanding to collect. Here, we investigate the use of multivariate polynomial interpolation to approximate anisotropic pair potentials from a limited set of prescribed particle configurations. We consider both standard Chebyshev polynomial interpolation and mixed-bas

SUBMITTER: Fakhraei M 

PROVIDER: S-EPMC12444758 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature