@inproceedings{3c71eee83a1c40e3a43f9fac7a4fdbe1,
title = "Optimization of HF-SCF on CPU-GPU hybrid parallel computing infrastructure",
abstract = "In molecular orbital ab initio calculations, the two-electron integral calculation is the most computationally expensive part. With the increase in the size of the molecules, calculation of integrals will require a large processing power. Improvement in the calculation time of the two-electron integrals has always been a hot spot in this research field. In this paper, we have suggested a novel implementation of algorithm on a heterogeneous system of CPU and GPU. Trace based results show that the proposed implementation can gain significant performance benefits for the calculation.",
author = "Xu, \{S. R.\} and Ahmad, \{S. Z.\} and B. Li",
note = "Publisher Copyright: {\textcopyright} 2015 Taylor \& Francis Group, London.; International Conference on Electronics, InformationTechnology and Intellectualization, EITI 2014 ; Conference date: 16-08-2014 Through 17-08-2014",
year = "2015",
doi = "10.1201/b17988-5",
language = "英语",
series = "Electronics, Information Technology and Intellectualization - International Conference on Electronics, InformationTechnology and Intellectualization, EITI 2014",
publisher = "CRC Press/Balkema",
pages = "13--16",
editor = "Song, \{Young Min\} and Kwak, \{Kyung Sup\}",
booktitle = "Electronics, Information Technology and Intellectualization - International Conference on Electronics, InformationTechnology and Intellectualization, EITI 2014",
}