2 papers
cond-mat.mtrl-sci2022
High-Throughput Computation of Li-based Battery Material Databases: Chemistry-Processing-Property Relationships
Scott R. Broderick, Kaito Miyamoto, Krishna Rajan
In this paper, we incorporate processing into the data driven property modeling of Li-based spinel battery materials. When considering spinel compounds of the form LiMe2O4 with Me…
cond-mat.mtrl-sci2022
New Generalized Informatics Framework for Development of Large Scale Virtual Battery Material Databases
Scott R. Broderick, Kaito Miyamoto, Krishna Rajan
In this paper, we introduce an approach for the prediction of capacity for over 100,000 spinel compounds relevant for battery materials, from which we propose the 20 most promising…