Discovery of lead low-potential radical candidates for organic radical polymer batteries with machine-learning-assisted virtual screening
Cheng-Han Li, Daniel P. Tabor
Abstract
Lead candidate radicals for use in radical polymer batteries are discovered by virtual screening with low computational footprint, chemistry-informed machine learning methods.
Topics & Concepts
RadicalLead (geology)Virtual screeningComputer sciencePolymerFootprintArtificial intelligenceChemistryMachine learningNanotechnologyMaterials scienceDrug discoveryOrganic chemistryGeologyPaleontologyGeomorphologyBiochemistryMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionConducting polymers and applications