Anubhav Jain
Anubhav Jain
Verified email at lbl.gov - Homepage
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Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
A Jain, SP Ong, G Hautier, W Chen, WD Richards, S Dacek, S Cholia, ...
Apl Materials 1 (1), 011002, 2013
25202013
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
SP Ong, VL Chevrier, G Hautier, A Jain, C Moore, S Kim, X Ma, G Ceder
Energy & Environmental Science 4 (9), 3680-3688, 2011
10752011
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
SP Ong, WD Richards, A Jain, G Hautier, M Kocher, S Cholia, D Gunter, ...
Computational Materials Science 68, 314-319, 2013
9792013
A high-throughput infrastructure for density functional theory calculations
A Jain, G Hautier, CJ Moore, SP Ong, CC Fischer, T Mueller, KA Persson, ...
Computational Materials Science 50 (8), 2295-2310, 2011
5752011
Formation enthalpies by mixing GGA and GGA+ U calculations
A Jain, G Hautier, SP Ong, CJ Moore, CC Fischer, KA Persson, G Ceder
Physical Review B 84 (4), 045115, 2011
5152011
Finding nature’s missing ternary oxide compounds using machine learning and density functional theory
G Hautier, CC Fischer, A Jain, T Mueller, G Ceder
Chemistry of Materials 22 (12), 3762-3767, 2010
3892010
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
G Hautier, A Jain, SP Ong, B Kang, C Moore, R Doe, G Ceder
Chemistry of Materials 23 (15), 3495-3508, 2011
3432011
Charting the complete elastic properties of inorganic crystalline compounds
M De Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ...
Scientific data 2 (1), 1-13, 2015
3322015
Computational predictions of energy materials using density functional theory
A Jain, Y Shin, KA Persson
Nature Reviews Materials 1 (1), 1-13, 2016
2642016
Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability
G Hautier, SP Ong, A Jain, CJ Moore, G Ceder
Physical Review B 85 (15), 155208, 2012
2502012
Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations
M Liu, Z Rong, R Malik, P Canepa, A Jain, G Ceder, KA Persson
Energy & Environmental Science 8 (3), 964-974, 2015
2352015
Materials design rules for multivalent ion mobility in intercalation structures
Z Rong, R Malik, P Canepa, G Sai Gautam, M Liu, A Jain, K Persson, ...
Chemistry of Materials 27 (17), 6016-6021, 2015
2252015
Production scheduling/rescheduling in flexible manufacturing
AK Jain, HA Elmaraghy
International Journal of Production Research 35 (1), 281-309, 1997
2151997
The thermodynamic scale of inorganic crystalline metastability
W Sun, ST Dacek, SP Ong, G Hautier, A Jain, WD Richards, AC Gamst, ...
Science advances 2 (11), e1600225, 2016
2092016
Evaluation of tavorite-structured cathode materials for lithium-ion batteries using high-throughput computing
T Mueller, G Hautier, A Jain, G Ceder
Chemistry of materials 23 (17), 3854-3862, 2011
2062011
Data mined ionic substitutions for the discovery of new compounds
G Hautier, C Fischer, V Ehrlacher, A Jain, G Ceder
Inorganic chemistry 50 (2), 656-663, 2011
2042011
FireWorks: a dynamic workflow system designed for high‐throughput applications
A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ...
Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015
2022015
Thermal stabilities of delithiated olivine MPO4 (M= Fe, Mn) cathodes investigated using first principles calculations
SP Ong, A Jain, G Hautier, B Kang, G Ceder
Electrochemistry Communications 12 (3), 427-430, 2010
1872010
Novel mixed polyanions lithium-ion battery cathode materials predicted by high-throughput ab initio computations
G Hautier, A Jain, H Chen, C Moore, SP Ong, G Ceder
Journal of Materials Chemistry 21 (43), 17147-17153, 2011
1842011
The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
SP Ong, S Cholia, A Jain, M Brafman, D Gunter, G Ceder, KA Persson
Computational Materials Science 97, 209-215, 2015
1542015
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