Louis, Steph-Yves; Siriwardane, Edirisuriya M. Dilanga; Joshi, Rajendra P.; Omee, Sadman Sadeed; Kumar, Neeraj; Hu, Jianjun
(ACS Applied Materials & Interfaces, 2022)
Performing first-principles calculations to discover electrodes’ properties in the large chemical space is a challenging task. While machine learning (ML) has been applied to effectively accelerate those discoveries, most ...