67 search results - page 1 / 14 » Scalable atomistic simulation algorithms for materials resea... |
SP
2002
IEEE
14 years 9 months ago
2002
IEEE
A suite of scalable atomistic simulation programs has been developed for materials research based on space-time multiresolution algorithms. Design and analysis of parallel algorit...
111
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CPHYSICS
2007
14 years 10 months ago
2007
We have developed scalable parallel algorithms for first-principles based predictive atomistic simulations of materials.
114
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IJHPCA
2008
14 years 10 months ago
2008
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
IPPS
2009
IEEE
15 years 4 months ago
2009
IEEE
A metascalable (or “design once, scale on new architectures”) parallel computing framework has been developed for large spatiotemporal-scale atomistic simulations of materials...
107
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ICPP
2006
IEEE
15 years 4 months ago
2006
IEEE
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...