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Wednesday, October 20, 2004 - 11:00 AM
WEB 1.6

Idea for a New Integrated Materials and Chemicals Database

N. E. Ooi, J. B. Adams, Arizona State University, Tempe, AZ

The culmination of countless advances in science, technology, and engineering has created a scientific environment today that is quite different from that seen in previous times. First, computer hardware and software have advanced to the point that highly accurate and precise simulations can be easily performed to determine the properties of materials and systems at time and size scales beyond human observation. Second, the sensitivity of instruments for materials analysis and fabrication has reached the point where individual molecules and atoms can be manipulated. Third, traditional disciplines such as physics, chemistry, biology, geology, and metallurgy have joined together into new disciplines such as solid state science, surface science, nanotechnology, and bioengineering. This new scientific environment requires new resources, one of which is an integrated database of properties of materials and chemicals. Such a database should be available online in multiple languages so that is available and accessible to people around the world. It should also be organized so people of different backgrounds can easily use it. We present a blueprint for such a database, and show how both simulation and experimental data can be included to complement each other. We describe several methods that major funding institutions such as the National Science Foundation and National Institute of Health can use to encourage contributions to this database. We also describe how it can incorporate data that currently exists in other online databases. Finally, we provide several examples of how specific types of information can be stored and accessed on such a database.

Summary: We present a blueprint for a materials database that incorporates both simulation and experimental data. We describe several methods that major funding institutions can use to encourage contributions to this database. We also describe how it can incorporate data that currently exists in other online databases.