Advances in computational methods and the exponential increase in computer speed have made it possible to computationally generate large databases of material properties. To utilize the power of high-throughput computing, it is necessary to have methods that are capable of rapidly and accurately predicting the relevant material property values. We develop such methods and use them in high-throughput calculations to design and discover new materials for advanced technologies. By combining advanced thermodynamic and electronic-structure methods with intelligent data mining and database construction, and exploiting the power of current supercomputer architectures, scientists generate, manage and analyze enormous data repositories for the discovery of novel materials.
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