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| NSF | Physical Sciences (non-NC/GC) | Budget Code: | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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This activity provides support for research on fundamental problems in Astronomy, Chemistry, Material Science, and Physics using state of the art vector supercomputers or emerging massively parallel systems. The emphasis is on developing models and solution techniques that provide for qualitative and quantitative improvements in the simulations. From these more accurate simulations the researchers are able to gain new insights into the nature of the physical phenomena being simulated. In addition, this activity broadens the base of users of advanced computing systems by exposing graduate students and postdoctoral researchers to the benefits of computational science as an intrinsic part of the scientific method.
This activity supports other NSF themes such as Software Systems and Algorithms,Ubiquitous Computing and Communication, and Human-Machine Interaction & Information Access. |
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Demonstrated the efficacy of parallelized CMM/MD codes by using them to predict glass transition temperatures of polymer blends and copolymers.
Extended the Newton-Euler Inverse Mass Operator method to fast dynamics on periodic systems with up to one million atoms. A new project to enable scientists in physics and other disciplines to acquire and distribute information easily and rapidly in the form of electronic preprints was initiated. The interdisciplinary CARM program that supports high performance computing research in the material sciences was expanded to include a wider variety of materials, algorithms and computing platforms. Linkages between NSF and NIST were explored in the area of computational materials. |
Working parallelized versions of GAUSSIAN, CHARM, or other molecular dynamics codes will be available for public use at all of the NSF Supercomputer centers.
Through the Supercomputer centers and the parallelized versions of codes supported for public use, strengthen the ties between academic researchers and industrial affiliates. As appropriate, establish interactions between NSF and NIST in applications of HPCC to computational modeling of materials. Expand the CARM program to include computation for materials engineering problems. Develop rapid, open, and widespread access to electronic preprints over a broad spectrum of physics, chemistry, astronomy, and materials science. |
This activity is now incorporated into the activity described under Applications. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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