Timeline for What is the closest thing we have to "the" universal density functional?
Current License: CC BY-SA 4.0
6 events
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| Jul 24, 2020 at 16:28 | comment | added | Susi Lehtola | Like one of the reviewers of the Kanungo et al paper states, their work is nothing groundbreaking: potential inversion has been done in the DFT literature for a very long time. Also their approach is a bit lacking; a much saner approach is to use numerical basis sets that get the cusp right from the start. There's a lot of progress recently into machine learned potentials from densities, and these might lead to improvements in the coming years. | |
| May 22, 2020 at 0:34 | comment | added | Kevin J. May | This is definitely an interesting approach. There are already codes available out there to train neural networks from charge densities: Kolb, B., Lentz, L.C. & Kolpak, A.M. Sci Rep 7, 1192 (2017). doi.org/10.1038/s41598-017-01251-z | |
| May 5, 2020 at 4:45 | history | edited | Cody Aldaz | CC BY-SA 4.0 | added 10 characters in body |
| May 5, 2020 at 1:26 | history | edited | Cody Aldaz | CC BY-SA 4.0 | added 184 characters in body |
| May 5, 2020 at 0:46 | history | edited | Cody Aldaz | CC BY-SA 4.0 | added 453 characters in body |
| May 4, 2020 at 21:06 | history | answered | Cody Aldaz | CC BY-SA 4.0 |