An Integrated and Grid Based Solution of Chemical Applications

Abstract

Different chemical applications only apply to unique fields such as molecular dynamics, mechanics and visualization. Accordingly, the need for integrating multiple applications into a uniform system raises. As grid plays a growing role in sharing distributed resources, more applications prefer to basing on it. We present not only a three layer model showing the architecture of high performance integrated system, but also an implementation called GridMol which is a cross-platform solution taking advantages of major chemical applications. An example of using GridMol demonstrates that it provides rich interfaces of molecular modeling and visualizing. Additionally, with the idea of grid-based, GridMol utilizes various computational resources efficiently.