Screening and Understanding Li Adsorption on Two-Dimensional Metallic Materials by Learning Physics and Physics-Simplified Learning
Sheng Gong, Shuo Wang, Taishan Zhu, Xi Chen, Zhenze Yang, Markus J. Buehler, Yang Shao‐Horn, Jeffrey C. Grossman
Abstract
and substrate, and the dependence is used to screen all 2D metallic materials. Physics-simplified learning by splitting the property into different contributions and learning or calculating each component is shown to have higher accuracy and transferability for machine learning of complex materials properties.
Topics & Concepts
AdsorptionMaterials scienceDensity functional theoryTransferabilityChemical physicsNanotechnologyPhysicsChemistryComputational chemistryComputer scienceMachine learningPhysical chemistryLogitAdvancements in Battery MaterialsMachine Learning in Materials ScienceMXene and MAX Phase Materials