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 | 402 | 2019 |
Opportunities and challenges for machine learning in materials science D Morgan, R Jacobs Annual Review of Materials Research 50, 71-103, 2020 | 281 | 2020 |
Origins of large voltage hysteresis in high-energy-density metal fluoride lithium-ion battery conversion electrodes L Li, R Jacobs, P Gao, L Gan, F Wang, D Morgan, S Jin Journal of the American Chemical Society 138 (8), 2838-2848, 2016 | 255 | 2016 |
Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro) catalysis and ferroelectricity J Hwang, Z Feng, N Charles, XR Wang, D Lee, KA Stoerzinger, S Muy, ... Materials Today 31, 100-118, 2019 | 207 | 2019 |
Predicting the thermodynamic stability of perovskite oxides using machine learning models W Li, R Jacobs, D Morgan Computational Materials Science 150, 454-463, 2018 | 202 | 2018 |
Material discovery and design principles for stable, high activity perovskite cathodes for solid oxide fuel cells R Jacobs, T Mayeshiba, J Booske, D Morgan Advanced Energy Materials 8 (11), 1702708, 2018 | 162 | 2018 |
Understanding and controlling the work function of perovskite oxides using density functional theory R Jacobs, J Booske, D Morgan Advanced Functional Materials 26 (30), 5471-5482, 2016 | 160 | 2016 |
Assessing correlations of perovskite catalytic performance with electronic structure descriptors R Jacobs, J Hwang, Y Shao-Horn, D Morgan Chemistry of Materials 31 (3), 785-797, 2019 | 133 | 2019 |
Lithium transport through lithium-ion battery cathode coatings S Xu, RM Jacobs, HM Nguyen, S Hao, M Mahanthappa, C Wolverton, ... Journal of Materials Chemistry A 3 (33), 17248-17272, 2015 | 127 | 2015 |
Ab Initio Modeling of Electrolyte Molecule Ethylene Carbonate Decomposition Reaction on Li(Ni,Mn,Co)O2 Cathode Surface S Xu, G Luo, R Jacobs, S Fang, MK Mahanthappa, RJ Hamers, D Morgan ACS applied materials & interfaces 9 (24), 20545-20553, 2017 | 92 | 2017 |
Frontiers in Thermionic Cathode Research DM Kirkwood, SJ Gross, TJ Balk, MJ Beck, J Booske, D Busbaher, ... IEEE Transactions on Electron Devices 65 (6), 2061-2071, 2018 | 91 | 2018 |
Materials Discovery of stable and nontoxic halide perovskite materials for high‐efficiency solar cells R Jacobs, G Luo, D Morgan Advanced Functional Materials 29 (23), 1804354, 2019 | 76 | 2019 |
Work function and surface stability of tungsten-based thermionic electron emission cathodes R Jacobs, D Morgan, J Booske APL Materials 5 (11), 2017 | 71 | 2017 |
Error assessment and optimal cross-validation approaches in machine learning applied to impurity diffusion HJ Lu, N Zou, R Jacobs, B Afflerbach, XG Lu, D Morgan Computational Materials Science 169, 109075, 2019 | 64 | 2019 |
Electronic Structure-Based Descriptors for Oxide Properties and Functions L Giordano, K Akkiraju, R Jacobs, D Vivona, D Morgan, Y Shao-Horn Accounts of Chemical Research 55 (3), 298-308, 2022 | 62 | 2022 |
The Materials Simulation Toolkit for Machine Learning (MAST-ML): an automated open source toolkit to accelerate data-driven materials research R Jacobs, T Mayeshiba, B Afflerbach, L Miles, M Williams, M Turner, ... Computational Materials Science 176, 109544, 2020 | 55 | 2020 |
Strain control of oxygen kinetics in the Ruddlesden-Popper oxide La1.85Sr0.15CuO4 TL Meyer, R Jacobs, D Lee, L Jiang, JW Freeland, C Sohn, T Egami, ... Nature communications 9 (1), 92, 2018 | 51 | 2018 |
Stretching Epitaxial La0.6Sr0.4CoO3−δ for Fast Oxygen Reduction D Lee, R Jacobs, Y Jee, A Seo, C Sohn, AV Ievlev, OS Ovchinnikova, ... The Journal of Physical Chemistry C 121 (46), 25651-25658, 2017 | 48 | 2017 |
Massive Vacancy Concentration Yields Strong Room-Temperature Ferromagnetism in Two-Dimensional ZnO X Yin, Y Wang, R Jacobs, Y Shi, I Szlufarska, D Morgan, X Wang Nano letters 19 (10), 7085-7092, 2019 | 43 | 2019 |
Factors Controlling Oxygen Interstitial Diffusion in the Ruddlesden–Popper Oxide La2–xSrxNiO4+δ S Xu, R Jacobs, D Morgan Chemistry of Materials 30 (20), 7166-7177, 2018 | 41 | 2018 |