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cond-mat.mtrl-sci2019
Quantifying the search for solid Li-ion electrolyte materials by anion: a data-driven perspective
Austin D. Sendek, Gowoon Cheon, Mauro Pasta +1
We compile data and machine learned models of solid Li-ion electrolyte performance to assess the state of materials discovery efforts and build new insights for future efforts. Can…
cond-mat.mtrl-sci2018
Machine learning-assisted discovery of many new solid Li-ion conducting materials
Austin D. Sendek, Ekin D. Cubuk, Evan R. Antoniuk +3
We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided b…
cond-mat.mtrl-sci2018
Elastic properties of bulk and low-dimensional materials using Van der Waals density functional
Kamal Choudhary, Gowoon Cheon, Evan Reed +1
In this work, we present a high-throughput first-principles study of elastic properties of bulk and monolayer materials mainly using the vdW-DF-optB88 functional. We discuss the tr…