Recently, I’ve had some success using the Element Mover’s Distance (ElMD – I’m not the owner) in a materials discovery project (mat_discover – I am the owner), but I can’t help but feel that it isn’t receiving the usage that’s warranted for the usefulness of the tool. In particular, I’ve really enjoyed the ability of ElM2D to create chemically homogeneous clusters based on chemical formulae only. I’m wondering if
ElMD is something that would be of interest to incorporate into
matminer, or if you have thoughts for another place where people are more likely to become aware of it. Here’s the paper (I am not an author):
Hargreaves, C. J.; Dyer, M. S.; Gaultois, M. W.; Kurlin, V. A.; Rosseinsky, M. J. The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions. Chem. Mater. 2020, 32 (24), 10610–10620. https://doi.org/10.1021/acs.chemmater.0c03381.
ElM2D is the “2D” distance matrix version of the code.