AiiDA
Automated Interactive Infrastructure and Database for Computational Science


If you use AiiDA please cite:
AiiDA 1.0: S.P. Huber et al. arXiv:2003.12476 (2020)
AiiDA 0.x: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access)

AiiDA Graph Gallery

Covalent Organic Frameworks

Image 1 of 3

A database of 324 Covalent Organic Frameworks for computational modeling was prepared and evaluated in silico for carbon capture and storage.
Authors: D. Ongari, L. Talirz, A. V. Yakutovich and B. Smit. doi:10.1021/acscentsci.9b00619

If you’d like to see your own AiiDA graph here, render an image for your own graph and send it to developers@aiida.net, together with a short description, authors and a link to the corresponding publication (if applicable).