The Structural Database

POSTER

Abstract

A Structural Database can be used as a universal tool for global accumulation and integration of structural and energy data from different methods, people, and places. It allows data mining and data validation by direct comparison of structural data from different sources. Being combined with multi-scale methods (e.g., ThermoToolkit), it can significantly reduce the cost of materials design. We exemplify these and other benefits of the Structural Database, and demonstrate its working prototype, available at http://data.mse.uiuc.edu. This database is a product of multi-disciplinary research involving Physics, Computer Science, and Materials Science and Engineering.

Authors

  • Nikolai Zarkevich

  • Duane Johnson

    Department of Materials Science and Engineering, and Materials Computation Center, University of Illinois at Urbana-Champaign, Department of Materials Science and Engineering, UIUC, Materials Science and Engineering, University of Ilinois Urbana-Champaign, Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign., Department of Materials Science and Engineering