Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
We demonstrate that inverse statistical mechanical optimization can be used to discover simple (e.g., short-range, isotropic, and convex-repulsive) pairwise interparticle potentials with three-dimensional diamond or simple cubic lattice ground states over a wide range of densities.