Charles Moore

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

Shyue Ping Ong, Vincent Chevrier, Geoffroy Hautier et al. · Energy & Environmental Science · 2011 · 1.4K citations

Engineering, Li+ Migration, Chemistry +23

A high-throughput infrastructure for density functional theory calculations

Anubhav Jain, Geoffroy Hautier, Charles Moore et al. · Computational Materials Science · 2011 · 1K citations

Physics, Natural Sciences, High-energy-density Matter +5

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

Geoffroy Hautier, Shyue Ping Ong, Anubhav Jain et al. · Physical Review B · 2012 · 492 citations · Full text

Engineering, Material Simulation, Computational Chemistry +17

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput <i>ab Initio</i> Calculations

Geoffroy Hautier, Anubhav Jain, Shyue Ping Ong et al. · Chemistry of Materials · 2011 · 427 citations

Engineering, Phosphate Materials, Chemistry +18

Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations

Geoffroy Hautier, Anubhav Jain, Hailong Chen et al. · Journal of Materials Chemistry · 2011 · 228 citations

Materials Science, Electrical Engineering, Chemical Engineering +15