Ghosh, Ayana http://orcid.org/0000-0002-0432-3689
Ziatdinov, Maxim http://orcid.org/0000-0003-2570-4592
Dyck, Ondrej http://orcid.org/0000-0001-8200-9874
Sumpter, Bobby G. http://orcid.org/0000-0001-6341-0355
Kalinin, Sergei V. http://orcid.org/0000-0001-5354-6152
Article History
Received: 12 September 2021
Accepted: 16 February 2022
First Online: 20 April 2022
Competing interests
: The authors declare no competing non-financial interests but the following competing financial interests. Sergei V. Kalinin is a member of the Editorial Board for npj Computational Materials. S.V.K. was not involved in the journal’s review of or decisions related to this manuscript. The remaining authors declare no competing interests.