并行计算在大尺度大气成核中的应用

Yanrui Liu, Kai Zhu, A. Aboagye, Jinzhu Gao
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引用次数: 0

摘要

大气成核过程中可能产生有害物质,因此对该过程进行研究具有重要意义。在我们之前的工作中,已经开发了一些可视化工具。然而,当数据集变大时,计算时间也相应增加。更糟糕的是,有时可视化工具可能会由于某些限制而变得不稳定,特别是在计算分子之间的相似性时。在本文中,我们将首先提出一种计算两个分子之间相似度的算法。然后,为了加速数据的解析,将采用并行方法实现所提出的算法,实验结果将显示计算速度的提高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Application of Parallel Computing on Large Scale Atmospheric Nucleation
During the process of atmospheric nucleation, harmful substances may be generated, thus, it is with significant to conduct research on the process. In our previous work, some tools for visualization have already been developed. However, while the data set becomes larger, the computing time also increases accordingly. To make things worse, sometimes the visualization tool may become unstable due to some limitations, especially while calculating the similarity between molecules. In this paper, we will first propose an algorithm for calculating the similarity between two molecules. Then, in order to accelerate the parsing of data, the proposed algorithm will be implemented with parallel methods, and experimental results will show the improvement of the computing speed.
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