@inproceedings{a6c5ee767423491aae7189682e8378ac,
title = "One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer",
abstract = "One-hundred-nm-scale electronic structure calculations were carried out on the K supercomputer by our original simulation code ELSES (http://www.elses.jp/) The present paper reports preliminary results of transport calculations for condensed organic polymers. Large-scale calculations are realized by novel massively parallel order-N algorithms. The transport calculations were carried out as a theoretical extension for the quantum wavepacket dynamics simulation. The method was applied to a single polymer chain and condensed polymers.",
author = "Hiroto Imachi and Seiya Yokoyama and Takami Kaji and Yukiya Abe and Tomofumi Tada and Takeo Hoshi",
note = "Publisher Copyright: {\textcopyright} 2016 Author(s).; International Conference of Computational Methods in Sciences and Engineering 2016, ICCMSE 2016 ; Conference date: 17-03-2016 Through 20-03-2016",
year = "2016",
month = dec,
day = "6",
doi = "10.1063/1.4968636",
language = "English",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
editor = "Zacharoula Kalogiratou and Simos, {Theodore E.} and Theodore Monovasilis and Simos, {Theodore E.} and Simos, {Theodore E.}",
booktitle = "International Conference of Computational Methods in Sciences and Engineering 2016, ICCMSE 2016",
}