From computational screening to the synthesis of a promising OER catalyst
Sai Govind Hari Kumar, Carlota Bozal‐Ginesta, Ning Wang, Jehad Abed, Chung Hsuan Shan, Zhenpeng Yao, Alán Aspuru‐Guzik
Abstract
. Given the vast size of chemical space as well as the success of this technique to date, we believe that further application of this computational framework based on the high-throughput virtual screening of materials can lead to the discovery of additional novel, high-performing OER catalysts.
Topics & Concepts
InverseComputer scienceCatalysisBiochemical engineeringNanotechnologyMaterials scienceChemistryEngineeringMathematicsOrganic chemistryGeometryMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques