The AFLOW Fleet for Materials Discovery
Abstract
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational materials design automates high-throughput first principles calculations, and provides tools for data verification and dissemination for a broad community of users. AFLOW incorporates different computational modules to robustly determine thermodynamic stability, electronic band structures, vibrational dispersions, thermo-mechanical properties and more. The AFLOW data repository is publicly accessible online at aflow.org, with more than 1.7 million materials entries and a panoply of queryable computed properties. Tools to programmatically search and process the data, as well as to perform online machine learning predictions, are also available.
Keywords
Cite
@article{arxiv.1712.00422,
title = {The AFLOW Fleet for Materials Discovery},
author = {Cormac Toher and Corey Oses and David Hicks and Eric Gossett and Frisco Rose and Pinku Nath and Demet Usanmaz and Denise C. Ford and Eric Perim and Camilo E. Calderon and Jose J. Plata and Yoav Lederer and Michal Jahnátek and Wahyu Setyawan and Shidong Wang and Junkai Xue and Kevin Rasch and Roman V. Chepulskii and Richard H. Taylor and Geena Gomez and Harvey Shi and Andrew R. Supka and Rabih Al Rahal Al Orabi and Priya Gopal and Frank T. Cerasoli and Laalitha Liyanage and Haihang Wang and Ilaria Siloi and Luis A. Agapito and Chandramouli Nyshadham and Gus L. W Hart and Jesús Carrete and Fleur Legrain and Natalio Mingo and Eva Zurek and Olexandr Isayev and Alexander Tropsha and Stefano Sanvito and Robert M. Hanson and Ichiro Takeuchi and Michael J. Mehl and Aleksey N. Kolmogorov and Kesong Yang and Pino D'Amico and Arrigo Calzolari and Marcio Costa and Riccardo De Gennaro and Marco Buongiorno Nardelli and Marco Fornari and Ohad Levy and Stefano Curtarolo},
journal= {arXiv preprint arXiv:1712.00422},
year = {2017}
}
Comments
14 pages, 8 figures