Geoffroy Hautier
Geoffroy Hautier
Verifierad e-postadress på uclouvain.be - Startsida
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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
29452013
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
11612013
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
11342011
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
6272011
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
6192014
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
5742011
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
4272010
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), 1-7, 2013
4132013
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
3712016
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
3632011
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
2742012
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
2362016
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
2362015
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
2322011
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
2132011
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
2042011
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
1972010
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
1862013
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
1782016
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
171*2016
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Artiklar 1–20