3 papers
cond-mat.soft2026
Approximation of anisotropic pairwise interactions for charged objects using multivariate polynomials and a multipole expansion
Mohammadreza Fakhraei, Dylan McElheny, Chris A. Kieslich +1
We formulate a physics-informed data-driven method for modeling anisotropic pairwise interactions in the presence of long-ranged electrostatics. The method separates the total inte…
cond-mat.soft2025
Approximation of forces and torques from anisotropic pairwise interactions using multivariate polynomials
Mohammadreza Fakhraei, Michaela Bush, Chris A. Kieslich +1
The dynamics of anisotropic particles are dictated by forces and torques that can be challenging to mathematically represent in computer simulations. Several data-driven approaches…
cond-mat.soft2025
Approximation of anisotropic pair potentials using multivariate interpolation
Mohammadreza Fakhraei, Chris A. Kieslich, Michael P. Howard
The interaction between two particles with shape or interaction anisotropy can be modeled using a pairwise potential energy function that depends on their relative position and ori…