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Geoffroy Hautier
Geoffroy Hautier
Verified email at dartmouth.edu - 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
63912013
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
23502013
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
13772011
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
9362011
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
9272014
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
8772011
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
5982013
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
5912016
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
5802010
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
5252016
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
4512011
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
4282015
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
4012012
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
3562011
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
3392019
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
3232016
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
2862020
First principles high throughput screening of oxynitrides for water-splitting photocatalysts
Y Wu, P Lazic, G Hautier, K Persson, G Ceder
Energy & environmental science 6 (1), 157-168, 2013
2862013
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
2812020
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
2712019
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