Research Article Open Access

An Optimization Model of Molecular Voronoi Cells in Computational Chemistry

Abstract

In computational chemistry or crystallography, we always meet the problem that requires distributing N particles in one square cell with the minimal neighbour 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.

Jiapu Zhang*

To read the full article Download Full Article | Visit Full Article