High-throughput computational screening for solid-state Li-ion conductors
Leonid Kahle, Aris Marcolongo, Nicola Marzari
Abstract
Atomistic simulations are employed to screen experimental structural repositories for fast Li-ion conductors, finding new candidate solid-state electrolyte materials.
Topics & Concepts
Electrical conductorComputer scienceMaterials scienceElectronic engineeringEngineeringKey (lock)Electrical engineeringPhysicsMechanical engineeringPoint (geometry)Machine Learning in Materials ScienceAdvanced Battery Materials and TechnologiesAdvancements in Battery Materials