4 papers
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…
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…
Inverse design of drying-induced assembly of multicomponent colloidal-particle films using surrogate models
Mayukh Kundu, Michaela Bush, Chris A. Kieslich +1
The properties of films assembled by drying colloidal-particle suspensions depend sensitively on both the particles and the processing conditions, making them challenging to engine…
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…