Acquisition of a Beowulf Cluster for Computational Materials Research, Education and Student Training

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This grant provides support for the acquisition of a Beowulf cluster for computational materials research, education and student training at the University of Michigan. Due to phenomenal advances in computer power and accessibility, simulation now guides discovery and understanding of materials processes in nanoscience and technology, microelectronics, polymer processing, photonics, designed materials, autonomic materials systems, and many other technologically important areas. The simulation techniques required to solve materials problems are inherently multidisciplinary, involving length and time scales that span many orders of magnitude. As such, they require the combined use of disparate computational methodologies originally conceived for specific applications in particular disciplines. Expertise in these different techniques tends to remain isolated within their fields of origin. These disciplinary boundaries must be eliminated in order to develop scale-spanning simulation methodologies that coordinate and integrate complementary computational methods and thereby facilitate the investigation of problems too complex to be tackled by a single technique. The goal is three-fold: (1) to foster interdisciplinary and innovative research and education in computational materials at the University of Michigan; (2) to lead in the development and application of cutting-edge, scale-spanning simulation methods for materials research; and (3) to educate and train students in computational methods that span the length and time scales from molecules to macroscopic properties for materials discovery, design, and development. We anticipate our graduates to be vigorously recruited by industry, government laboratories, and universities. A center format is imperative for this endeavor because of the need to pool expertise in diverse computational methodologies. Through the various programs planned, this center will provide a forum for interaction among faculty and students to promote the cross-fertilization between the many areas of specialization that drive advances in computational materials research. This cluster will permit the simultaneous use by multiple users for education, training, and research, and will allow simulations of materials and materials processes over an order of magnitude larger in some instances than previously attainable. Such improvements in scale are crucial to advancing fundamental understanding and scientific discovery. A broader impact of this project is achieved both through the development of innovative computational methodologies and the training of highly skilled computational scientists and engineers, capable of addressing the growing need for the advancement of materials technologies in today's society. Our vision is to be a highly visible leader in research and education in computational materials science and engineering, developing simulation techniques, curricula, and outreach programs at Michigan that will serve as models for the materials community around the world.