Project block diagram

Plan of the data centric chemistry project is shown in the chart below.

• GRRM software: An automated method for exploring chemical reaction routes using the potential method. Acceleration of the computations is planned through distributed GRRM.
• Chemical reaction route database [RMapDB]: Database of chemical reaction routes automatically explored by using the GRRM software. This is expected to be a QM-based chemical big data.
• Visualization/analysis software [RMapViewer]: An interface tool to visualize chemical structures and reaction pathways. It responds to the different needs of researchers investigating various chemical reactions.

Project Research Structure

(As of March 2015)