Grand Challenge Applications

What are Grand Challenges?

Grand Challenge applications are fundamental problems in science and engineering with broad economic and scientific impact. They are generally considered intractable without the use of state-of-the-art massively parallel computers.

How is Argonne involved?

At Argonne, we are major participants in four Grand Challenge applications (GCAs):

  • Massive Crystallographic and Microtomographic Structural Problems
  • Protein Dynamics and Biocatalysis
  • Relativistic Quantum Chemistry of Actinides
  • Virtual Materials Design and Processing
  • What is the objective?

    Our research objective in each of these GCAs is to develop new capabilities, answer complex questions previously considered intractable, and advance scientific knowledge through the use of high-performance computing communications technologies.

    How do Argonne scientists address these Grand Challenges?

    Computational scientists, mathematicians, and computer scientists at Argonne collaborate to

  • develop algorithms and computational methods necessary to exploit teraflops architectures;
  • devise software engineering techniques required to reengineer large computational codes to take advantage of new algorithms;
  • validate implementations by large-scale, proof-of-principle calculations; and
  • conduct experiments that complement theoretical and numerical studies.
  • For this work, Argonne researchers exploit the most powerful parallel computers and advanced visualization techniques in Argonne's Center for Computational Science and Technology.