Density functional theory-free descriptor for the practical discovery of perovskite catalysts

Exemplar Discovery Paper for DFT workflows. Exemplar discovery paper for DFT workflows; selected as a highly cited or venue-prominent research article rather than a general review.

Citation: Wan-Jian Yin. Density functional theory-free descriptor for the practical discovery of perovskite catalysts. Computational Materials Science 2021. https://doi.org/10.1016/j.commatsci.2021.110342

Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.