AiiDA
Automated Interactive Infrastructure and Database for Computational Science


Journal article  G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016)
Open access preprint  arXiv:1504.0116 [physics.comp-ph]

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Nature Nanotechnology March cover features a high-throughput study on novel 2D materials performed using AiiDA

👤 🕔 March 6, 2018 Comments Off on Nature Nanotechnology March cover features a high-throughput study on novel 2D materials performed using AiiDA

The March 2018 issue of Nature Nanotechnology features a paper by N. Mounet and coworkers who have used AiiDA to identify  close to 2000 well-known inorganic compounds that may be exfoliated into novel 2D materials and compute, for a large subset of over 250 of them, their electronic, vibrational, magnetic and topological properties.

Copyright: Image: Giovanni Pizzi, EPFL, Switzerland.


The paper has been also highlighted in a few feature stories, including the homepage of the EPFL website and on the MARVEL website.

Full journal reference: Nicolas Mounet et al., Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds, Nature Nanotech. 13, 246–252 (2018) doi:10.1038/s41565-017-0035-5

Computed data is available in open access, including full AiiDA provenance, on the Materials Cloud website: Nicolas Mounet et al., Materials Cloud Archive (2017), doi: 10.24435/materialscloud:2017.0008/v1