Stability, Electronic Structure, and Phase Diagrams of Novel Inter- Semiconductor Compounds. - L. G. Ferreira; Suhuai Wei; Alex Zunger (Int. J. High Perform. Comput. Appl., 1991)

Learning to Predict Physical Properties using Sums of Separable Functions. - Mayeul d'Avezac; Ryan Botts; Martin J. Mohlenkamp; Alex Zunger (SIAM J. Sci. Comput., 2011)

Bridging the gap between density functional theory and quantum materials. - Alex Zunger (Nat. Comput. Sci., 2022)