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Topics in Current Chemistry|November 30, 2013
Data mining approaches to high-throughput crystal structure and compound predictionGeoffroy HautierJournal of the American Chemical Society|October 23, 2012
Synthesis, computed stability, and crystal structure of a new family of inorganic compounds: carbonophosphatesHailong Chen, Geoffroy Hautier, Gerbrand CederThe Journal of Physical Chemistry Letters|February 24, 2025
Do Small Hole Polarons Form in Bulk Rutile TiO2?Shay McBride, Wei Chen, Tanja Cuk, et al.Inorganic Chemistry|December 15, 2010
Data mined ionic substitutions for the discovery of new compoundsGeoffroy Hautier, Chris Fischer, Virginie Ehrlacher, et al.Physical Chemistry Chemical Physics : PCCP|January 31, 2015
Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational studyAnubhav Jain, Geoffroy Hautier, Shyue Ping Ong, et al.Nature Communications|August 14, 2013
Identification and design principles of low hole effective mass p-type transparent conducting oxidesGeoffroy Hautier, Anna Miglio, Gerbrand Ceder, et al.Journal of the American Chemical Society|March 4, 2025
Assigning Surface Hole Polaron Configurations of Titanium Oxide Materials to Excited-State Optical AbsorptionsCassius Boyd, Shay McBride, Michael Paolino, et al.Science (New York, N.Y.)|January 11, 2014
Unlocking the potential of cation-disordered oxides for rechargeable lithium batteriesJinhyuk Lee, Alexander Urban, Xin Li, et al.Physical Review Letters|April 18, 2015
Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic statesDaniel I Bilc, Geoffroy Hautier, David Waroquiers, et al.The Journal of Chemical Physics|August 6, 2020
Combining phonon accuracy with high transferability in Gaussian approximation potential modelsJanine George, Geoffroy Hautier, Albert P Bartók, et al.Pageof 6