Grant: Idea to Innovation

The goal of this project is to build a Comprehensive Computational Chemistry DataBase (CCCDB) that will be used to organize and manage computational chemistry data, allowing scientists and researchers to interact and share information globally. Computational chemistry has become an efficient way to investigate and design new materials and also helps chemists make predictions thereby saving the cost of doing the experiment. The proposed CCCDB, currently at the design stage, will be useful to those working in the pharmaceutical, materials design, or energy storage industries, as well as those working on fundamental research in industry. It would also be of use to academic researchers working in the areas of chemistry, biochemistry, medicine, and pharmacy. All of these individuals would save hours and compute time by utilizing the work done by other researchers in the area. Continuously increasing computing power and inexpensive storage space will result in a large increase in the generation of new computational chemistry data in the next few years. Without the availability of centralized databases and robust search tools, much information will be recomputed unnecessarily, wasting very valuable person and compute hours. This proposal seeks I2I support to assess the potential market for CCCDB to ensure that we have a convergence of market need, technology fit, and customer readiness.