De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
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Publisher
London, England: Sage Publications
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Language
English
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Publisher
London, England: Sage Publications
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Contents
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 geographically distributed clusters. In this framework, high-end chemically reactive and non-reactive molecular dynamics (MD) simulations explore a wide solution space to...
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Full title
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
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TN_cdi_proquest_miscellaneous_32000412
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_32000412
Other Identifiers
ISSN
1094-3420
E-ISSN
1741-2846
DOI
10.1177/1094342007085015
