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Research . 2012
License: CC BY
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Other literature type . 2012
License: CC BY
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Research . 2012
License: CC BY
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Analysis Of Symplectic Integration Algorithms With Variable Step Size For Petascale Biomolecular Simulations

descriptionPublicationkeyboard_double_arrow_right Research , Other literature type 02 Dec 2012Publisher:ZenodoFunded by:EC | PRACE-1IP, EC | PRACE
Authors: N. Ilieva;

doi: 10.5281/zenodo.806923 , 10.5281/zenodo.806922

Analysis Of Symplectic Integration Algorithms With Variable Step Size For Petascale Biomolecular Simulations

Abstract

Based on the analysis of the performance, scalability, work-load increase and distribution of the MD simulation packages GROMACS and NAMD for very large systems and core numbers, we evaluate the possibilities for overcoming the deterioration of the scalability and performance of the existing MD packages by implementation of symplectic integration algorithms with multiple step sizes.

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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
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