Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms

This is a publication. If there is no link to the publication on this page, you can try the pre-formated search via the search engines listed on this page.

Authors: Robert Schade, Tobias Kenter, Hossam Elgabarty, Michael Lass, Ole Schütt, Alfio Lazzaro, Hans Pabst, Stephan Mohr, Jürg Hutter, Thomas D. Kühne, Christian Plessl

Journal title: Parallel Computing

Journal number: 111

Journal publisher: Elsevier BV

Published year: 2022

Published pages: 102920

DOI identifier: 10.1016/j.parco.2022.102920

ISSN: 0167-8191