CAVIAR: A simulation package for charged particles in environments surrounded by conductive boundaries

Abstract

We introduce CAVIAR, new scientific software that is developed for molecular simulation of ionic-liquids or charged colloids inside conductive boundaries. CAVIAR imports computer-aided-design geometries and uses them to simulate boundary walls. Then based on this geometry, a finite element mesh is generated and utilized for solving the Poisson equation. To avoid the complexity due to the singularity of point charges, we propose a new method, using the advantages of the superposition theorem of the linear partial differential equations. Within this paper, the CAVIAR structure, its features, and basic scientific algorithms are discussed.