An Optimization Model of Molecular Voronoi Cells in Computational Chemistry
Jiapu Zhang · Biochemistry & Pharmacology Open Access · 2015
In computational chemistry or crystallography, we always meet the problem that requires distributing N particles in one square unit with the minimal neighbor distance.Sometimes this problem is with special or complex constraints.This short article will build a molecular optimization model for the problem, and then will show one example of the application of this model.