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The calculations are done for different system sizes and the final results are obtained through extrapolation of the data to the thermodynamic limit.
Speedup in CPU time of the hybrid solver is benchmarked against a pure NEMD solver baseline for different system sizes and solver domain partitions.
The speed-up achieved for a variety of system sizes and complexities is nearly 6× on an 8-core and over 9× on a 12-core processor.
HPMC also scales to large system sizes, and the same benchmark with 16.8 million particles runs in 1.4 h on 2048 GPUs on OLCF Titan.
For a range of system sizes and three power source operating modes, predictions are made of the annual travel range on hydrogen and the associated CO2 savings.
To determine three-dimensional conformations of DNA damaged by environmental chemical carcinogens, effective molecular mechanics search techniques have been developed to deal with the large system sizes and computational demands.
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We investigate the complexity for increasing system size and for various reaction conditions.
Special attention is given to propulsion system sizing and thrust level selection.
As a consequence, smaller system size and operational cost may be achieved with this configuration.
Internal reformation, while beneficial to system size and integration, hinders power generation.
The system size and complexity in these applications are beyond the reach of traditional control synthesis and verification methods, and call for novel analytical and computational tools.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com