High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites AA Emery, C Wolverton Scientific data 4 (1), 1-10, 2017 | 364 | 2017 |
High-throughput computational screening of perovskites for thermochemical water splitting applications AA Emery, JE Saal, S Kirklin, VI Hegde, C Wolverton Chemistry of Materials 28 (16), 5621-5634, 2016 | 259 | 2016 |
Predictions of new perovskite compounds by combining machine learning and density functional theory PV Balachandran, AA Emery, JE Gubernatis, T Lookman, C Wolverton, ... Physical Review Materials 2 (4), 043802, 2018 | 196 | 2018 |
Giant onsite electronic entropy enhances the performance of ceria for water splitting SS Naghavi, AA Emery, HA Hansen, F Zhou, V Ozolins, C Wolverton Nature communications 8 (1), 285, 2017 | 73 | 2017 |
Phase Identification of the Layered Perovskite CexSr2–xMnO4 and Application for Solar Thermochemical Water Splitting DR Barcellos, FG Coury, A Emery, M Sanders, J Tong, A McDaniel, ... Inorganic chemistry 58 (12), 7705-7714, 2019 | 35 | 2019 |
NiTi porous structure with 3D interconnected microchannels using steel wire spaceholders C Bewerse, AA Emery, LC Brinson, DC Dunand Materials Science and Engineering: A 634, 153-160, 2015 | 14 | 2015 |
Solar Thermochemical Water Splitting: Advances in Materials and Methods. AH McDaniel, JE Miller Sandia National Lab.(SNL-CA), Livermore, CA (United States); Sandia National …, 2016 | 1 | 2016 |
Discovery of Novel Perovskites for Solar Thermochemical Water Splitting from High-Throughput First-Principles Calculations A Emery, C Wolverton APS March Meeting Abstracts 2016, P54. 005, 2016 | 1 | 2016 |
Optimizing ionic conductivity of lithium in LiPS argyrodite via dopant engineering S Muy, TL Mercier, M Dufour, MD Braida, AA Emery, N Marzari arXiv preprint arXiv:2407.15258, 2024 | | 2024 |
Discovery of Novel Oxides Using Machine Learning and First-Principles Calculations A Emery, L Ward, C Wolverton APS March Meeting Abstracts 2017, C1. 006, 2017 | | 2017 |
Materials Discovery for Water Splitting Applications Using First-Principles Calculations and Machine Learning AA Emery Northwestern University, 2017 | | 2017 |