Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange–correlation functionals by Yates, JR, Bartók, A

Ultrasoft pseudopotentials with kinetic energy density support: Implementing the Tran-Blaha potential by Bartók, A, Yates, J

Regularized SCAN functional by Bartók, A, Yates, J

Tin chemical shift anisotropy in tin dioxide: On ambiguity of CSA asymmetry derived from MAS spectra by Aliev, A, Bartók, A, Yates, J

Structural simplicity as a restraint on the structure of amorphous silicon by Cliffe, M, Bartók, A, Kerber, R, Grey, C, Csányi, G, Goodwin, A