VLab: A Collaborative Grid/Portal System for Computations of Materials Properties at High Pressures and Temperatures

ORAL

Abstract

We describe the development of a collaborative service-oriented architecture, the VLab, which handles from a single workflow the concurrent and distributed execution of multiple tasks involved in complex sequences of first principles calculations of materials properties at high pressures and temperatures. We demonstrate the usefulness of this system through a consolidated portal interface.

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Authors

  • Pedro da Silveira

    Minnesota Supercomputing Institute, University of Minnesota

  • Cesar R. S. da Silva

    Minnesota Supercomputing Institute, University of Minnesota

  • Renata M. Wentzcovitch

    University of Minnesota, Minnesota Supercomputing Institute, Department od Chemical Engineering and Materials Science, University of Minnesota, Minnesota Supercomputing Institute and Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Ave SE, Minnesota Supercomputing Institute, Department of Chemical Engineering and Materials Science, University of Minnesota