Optimization-Free Inverse Design of High-Dimensional Nanoparticle Electrocatalysts Using Multi-target Machine Learning. - Sichao Li; Jonathan Y. C. Ting; Amanda S. Barnard (ICCS (1), 2022)

The impact of domain-driven and data-driven feature selection on the inverse design of nanoparticle catalysts. - Sichao Li; Jonathan Y. C. Ting; Amanda S. Barnard (J. Comput. Sci., 2022)