The SIESTA method; developments and applicability

2008815 citationsJournal Article

Authors

Emilio Artacho · University of California, Berkeley

Eduardo Anglada · Universidad Autónoma de Madrid

Oswaldo Diéguez · Institut de Ciència de Materials de Barcelona

Julian D. Gale · Curtin University

Alberto Garcı́a · Institut de Ciència de Materials de Barcelona

Javier Junquera · Universidad de Cantabria

Richard M. Martin

Abstract

Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.

Topics & Keywords

Advanced Chemical Physics Studies Machine Learning in Materials Science Molecular Junctions and Nanostructures

Publication Details

Published in: Journal of Physics Condensed Matter

Volume 20, Issue 6, pp. 064208-064208

DOI: 10.1088/0953-8984/20/6/064208

Field-Weighted Citation Impact: 20.28

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The SIESTA method; developments and applicability

Authors

Abstract

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Publication Details