A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors
Ze Yang, Wang Gao, Qing Jiang
Abstract
We develop a universal design scheme based on the machine learning method and the intrinsic properties of substrates and adsorbates, allowing accurate prediction and rapid screening through a large phase space of alloys and multiple adsorbates.
Topics & Concepts
Scheme (mathematics)Computer sciencePhase spacePhase (matter)Materials scienceArtificial intelligenceMachine learningBiological systemPhysicsMathematicsThermodynamicsQuantum mechanicsMathematical analysisBiologyMachine Learning in Materials ScienceCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy Conversion