| EPFR formation from phenol adsorption on AlO and TiO: EPR and EELS studies MC Patterson, ND Keilbart, LW Kiruri, CA Thibodeaux, S Lomnicki, ... Chemical physics 422, 277-282, 2013 | 63 | 2013 |
| Magnesium-and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties L Pasquini, K Sakaki, E Akiba, MD Allendorf, E Alvares, JR Ares, D Babai, ... Progress in energy 4 (3), 032007, 2022 | 59 | 2022 |
| Quantum-continuum simulation of the electrochemical response of pseudocapacitor electrodes under realistic conditions N Keilbart, Y Okada, A Feehan, S Higai, I Dabo Physical Review B 95 (11), 115423, 2017 | 34 | 2017 |
| Hydriding of titanium: Recent trends and perspectives in advanced characterization and multiscale modeling Y Zhu, TW Heo, JN Rodriguez, PK Weber, R Shi, BJ Baer, FF Morgado, ... Current Opinion in Solid State and Materials Science 26 (6), 101020, 2022 | 23 | 2022 |
| Efficient and interpretable graph network representation for angle-dependent properties applied to optical spectroscopy T Hsu, TA Pham, N Keilbart, S Weitzner, J Chapman, P Xiao, SR Qiu, ... npj Computational Materials 8 (1), 151, 2022 | 18 | 2022 |
| Probing the pseudocapacitance and energy-storage performance of RuO facets from first principles N Keilbart, Y Okada, I Dabo Physical Review Materials 3 (8), 085405, 2019 | 12 | 2019 |
| Predicting the pseudocapacitive windows for MXene electrodes with voltage-dependent cluster expansion models JM Goff, F Marques dos Santos Vieira, ND Keilbart, Y Okada, I Dabo ACS Applied Energy Materials 4 (4), 3151-3159, 2021 | 11 | 2021 |
| Topological Control of Water Reactivity on Glass Surfaces: Evidence of a Chemically Stable Intermediate Phase CJ Wilkinson, K Doss, SH Hahn, N Keilbart, AR Potter, NJ Smith, I Dabo, ... The Journal of Physical Chemistry Letters 10 (14), 3955-3960, 2019 | 11 | 2019 |
| MXene Electrode Materials for Electrochemical Energy Storage: First-Principles and Grand Canonical Monte Carlo Simulations Y Okada, N Keilbart, JM Goff, S Higai, K Shiratsuyu, I Dabo MRS Advances, 1-9, 2019 | 8 | 2019 |
| Transformations of Ti-5Al-5V-5Cr-3Mo powder due to reuse in laser powder bed fusion: A surface analytical approach ST Sen-Britain, ND Keilbart, KE Kweon, TA Pham, CA Orme, BC Wood, ... Applied Surface Science 564, 150433, 2021 | 6 | 2021 |
| Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration J Chapman, KE Kweon, Y Zhu, K Bushick, LBB Aji, CA Colla, H Mason, ... Journal of Materials Chemistry A 11 (16), 8670-8683, 2023 | 5 | 2023 |
| Koopmans-compliant self-interaction corrections N Poilvert, G Borghi, NL Nguyen, ND Keilbart, K Wang, I Dabo Advances in Atomic, Molecular, and Optical Physics 64, 105-127, 2015 | 5 | 2015 |
| Influence of near-surface oxide layers on TiFe hydrogenation: mechanistic insights and implications for hydrogen storage applications A Santhosh, SY Kang, N Keilbart, BC Wood, T Klassen, P Jerabek, ... Journal of Materials Chemistry A 11 (35), 18776-18789, 2023 | 4 | 2023 |
| Efficient, interpretable atomistic graph neural network representation for angle-dependent properties and its application to optical spectroscopy prediction T Hsu, N Keilbart, S Weitzner, J Chapman, P Xiao, TA Pham, SR Qiu, ... arXiv e-prints, arXiv: 2109.11576, 2021 | 4 | 2021 |
| Using DFTB to Model Photocatalytic Anatase–Rutile TiO2 Nanocrystalline Interfaces and Their Band Alignment VK Gupta, B Aradi, K Kweon, N Keilbart, N Goldman, T Frauenheim, ... Journal of Chemical Theory and Computation 17 (8), 5239-5247, 2021 | 4 | 2021 |
| First-principles study and experimental characterization of metal incorporation in germanium telluride KA Cooley, N Keilbart, JG Champlain, LB Ruppalt, TN Walter, I Dabo, ... Journal of Applied Physics 128 (22), 2020 | 4 | 2020 |
| Efficient, interpretable graph neural network representation for angle-dependent properties and its application to optical spectroscopy T Hsu, TA Pham, N Keilbart, S Weitzner, J Chapman, P Xiao, SR Qiu, ... arXiv preprint arXiv:2109.11576, 2021 | 2 | 2021 |
| Understanding the Pseudocapacitive Behavior of RuO from First Principles ND Keilbart, I Dabo ECS Meeting Abstracts, 2206-2206, 2016 | 2 | 2016 |
| Hydrogen permeation through surface oxides of titanium iron alloys A Rowberg, SY Kang, N Keilbart, J Kaufman, B Wood | | 2023 |
| Supplemental Information: Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration J Chapman, KE Kweon, Y Zhu, K Bushick, LBB Aji, CA Colla, H Mason, ... | | 2022 |
