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Introduction
ParamChem is a NSF sponsored initiative to develop an integrated cyber environment to address the simulation needs of molecular sciences.

The major goals of ParamChem are                        

• A comprehensive utility for the optimization and testing of parameters in Force Fields and Semi-Empirical models
• Utilities for systematic expansion of available parameter sets to novel chemical systems
• A searchable database of target data for parameterization as well as parameter sets

Problem
ParamChem uses Paramberoo users interact with Paramberoo, a desktop molecular editor when analyzing molecular structures. Paramberoo is an external application and it's important to construct scientific workflows using Paramberoo with ParamChem.

Solution

Once the users configure a molecular structure to optimize, Paramberoo client launches the workflow binded with inputs to Airavata server and launches workflow monitoring interfaces. The high level architecture is illustrated below:

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A sample force field optimization workflow using CHARMM and Gaussian applications, constructed using Airavata XBaya GUI and executed by Airavata Interpreter Server:

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More Info: ParamChem Website

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