Publications

Found 25 results
Filters: Author is Jain, Anubhav  [Clear All Filters]
2011
G. Hautier, Fischer, C., Ehrlacher, V., Jain, A., and Ceder, G., Data Mined Ionic Substitutions for the Discovery of New Compounds, Inorganic Chemistry, vol. 50, no. 2, pp. 656 - 663, 2011.
T. Mueller, Hautier, G., Jain, A., and Ceder, G., Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing, Chemistry of Materials, vol. 23, no. 17, pp. 3854 - 3862, 2011.
A. Jain, Hautier, G., Ong, S. Ping, Moore, C. J., Fischer, C. C., Persson, K. A., and Ceder, G., Formation enthalpies by mixing GGA and GGA plus U calculations, Physical Review B, vol. 84, no. 4, 2011.
A. Jain, Hautier, G., Moore, C. J., Ong, S. Ping, Fischer, C. C., Mueller, T., Persson, K. A., and Ceder, G., A high-throughput infrastructure for density functional theory calculations, Computational Materials Science, vol. 50, no. 8, pp. 2295 - 2310, 2011.
G. Hautier, Jain, A., Chen, H., Moore, C., Ong, S. Ping, and Ceder, G., Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations, Journal of Materials Chemistry, vol. 21, no. 43, pp. 17147 - 17153, 2011.
G. Hautier, Jain, A., Ong, S. Ping, Kang, B., Moore, C., Doe, R., and Ceder, G., Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations, Chemistry of Materials, vol. 23, no. 15, pp. 3495 - 3508, 2011.
J. Chul Kim, Moore, C. J., Kang, B., Hautier, G., Jain, A., and Ceder, G., Synthesis and Electrochemical Properties of Monoclinic LiMnBO3 as a Li Intercalation Material, Journal of the Electrochemical Society, vol. 158, no. 3, pp. A309 - A315, 2011.
S. Ping Ong, Chevrier, V. L., Hautier, G., Jain, A., Moore, C., Kim, S., Ma, X., and Ceder, G., Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials, Energy & Environmental Science, vol. 4, no. 9, pp. 3680 - 3688, 2011.