| 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), 2013 | 11039 | 2013 |
| 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 | 3918 | 2013 |
| 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 | 1559 | 2011 |
| Formation enthalpies by mixing GGA and GGA calculations A Jain, G Hautier, SP Ong, CJ Moore, CC Fischer, KA Persson, G Ceder Physical Review B—Condensed Matter and Materials Physics 84 (4), 045115, 2011 | 1317 | 2011 |
| Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries J Lee, A Urban, X Li, D Su, G Hautier, G Ceder science 343 (6170), 519-522, 2014 | 1196 | 2014 |
| 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 | 1135 | 2011 |
| LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory R Nelson, C Ertural, J George, VL Deringer, G Hautier, R Dronskowski Journal of computational chemistry 41 (21), 1931-1940, 2020 | 876 | 2020 |
| 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 | 816 | 2016 |
| Thinking like a chemist: intuition in thermoelectric materials WG Zeier, A Zevalkink, ZM Gibbs, G Hautier, MG Kanatzidis, GJ Snyder Angewandte Chemie International Edition 55 (24), 6826-6841, 2016 | 788 | 2016 |
| Identification and design principles of low hole effective mass p-type transparent conducting oxides G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze Nature communications 4 (1), 2292, 2013 | 770 | 2013 |
| The thermoelectric properties of bismuth telluride IT Witting, TC Chasapis, F Ricci, M Peters, NA Heinz, G Hautier, ... Advanced Electronic Materials 5 (6), 1800904, 2019 | 700 | 2019 |
| 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 | 691 | 2010 |
| The ABINIT project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ... Computer Physics Communications 248, 107042, 2020 | 641 | 2020 |
| 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 | 590 | 2015 |
| 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 | 532 | 2011 |
| 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—Condensed Matter and Materials Physics 85 (15), 155208, 2012 | 520 | 2012 |
| Engineering half-Heusler thermoelectric materials using Zintl chemistry WG Zeier, J Schmitt, G Hautier, U Aydemir, ZM Gibbs, C Felser, GJ Snyder Nature Reviews Materials 1 (6), 1-10, 2016 | 470 | 2016 |
| 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 | 468 | 2011 |
| New frontiers for the materials genome initiative JJ de Pablo, NE Jackson, MA Webb, LQ Chen, JE Moore, D Morgan, ... npj Computational Materials 5 (1), 41, 2019 | 423 | 2019 |
| Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment W Chen, JH Pöhls, G Hautier, D Broberg, S Bajaj, U Aydemir, ZM Gibbs, ... J. Mater. Chem 100 (4), 4414-4426, 2016 | 364* | 2016 |