@inproceedings{e44333e2887a4ddd913fedd52d5a74c8,
title = "Efficient Multi-Domain Schemes for Large Quantum Systems' Calculations",
abstract = "We demonstrate a parallel and efficient mutli-domain scheme for Density Functional Theory (DFT) calculations of large molecular systems. The system is divided into sub-domains and the electrostatic potential produced by the charge density of each subdomain is calculated in a parallel manner. We show that our scheme leads to a linear scaling (instead of cubic) for the calculation time while keeping the same accuracy. This is demonstrated for a couple of systems with two molecules.",
keywords = "Density functional theory, Linear scaling, Quantum modeling",
author = "Matan Shapira and Amir Boag and Amir Natan",
note = "Publisher Copyright: {\textcopyright} 2021 IEEE.; 2021 IEEE International Conference on Microwaves, Antennas, Communications and Electronic Systems, COMCAS 2021 ; Conference date: 01-11-2021 Through 03-11-2021",
year = "2021",
doi = "https://doi.org/10.1109/COMCAS52219.2021.9629086",
language = "الإنجليزيّة",
series = "2021 IEEE International Conference on Microwaves, Antennas, Communications and Electronic Systems, COMCAS 2021",
publisher = "Institute of Electrical and Electronics Engineers Inc.",
pages = "373--377",
booktitle = "2021 IEEE International Conference on Microwaves, Antennas, Communications and Electronic Systems, COMCAS 2021",
address = "الولايات المتّحدة",
}