Computational design of stable and highly ion-conductive materials using multi-objective bayesian optimization: Case studies on diffusion of oxygen and lithium
Masayuki Karasuyama, Hiroki Kasugai, Tomoyuki Tamura, Kazuki Shitara
Topics & Concepts
Bayesian optimizationElectrical conductorMulti-objective optimizationComputer scienceStability (learning theory)Lithium (medication)Mathematical optimizationConductivityMaterials scienceChemistryMathematicsMachine learningEndocrinologyPhysical chemistryComposite materialMedicineFuel Cells and Related MaterialsMachine Learning in Materials ScienceElectrocatalysts for Energy Conversion