Catalysis-Hub. org, an open electronic structure database for surface reactions KT Winther, MJ Hoffmann, JR Boes, O Mamun, M Bajdich, T Bligaard Scientific data 6 (1), 75, 2019 | 223 | 2019 |
Theoretical investigation of the reaction mechanism of the guaiacol hydrogenation over a Pt (111) catalyst J Lu, S Behtash, O Mamun, A Heyden ACS Catalysis 5 (4), 2423-2435, 2015 | 127 | 2015 |
High-throughput calculations of catalytic properties of bimetallic alloy surfaces O Mamun, KT Winther, JR Boes, T Bligaard Scientific data 6 (1), 76, 2019 | 102 | 2019 |
Prediction of adsorption energies for chemical species on metal catalyst surfaces using machine learning AJ Chowdhury, W Yang, E Walker, O Mamun, A Heyden, GA Terejanu The Journal of Physical Chemistry C 122 (49), 28142-28150, 2018 | 96 | 2018 |
Graph theory approach to high-throughput surface adsorption structure generation JR Boes, O Mamun, K Winther, T Bligaard The Journal of Physical Chemistry A 123 (11), 2281-2285, 2019 | 83 | 2019 |
Theoretical investigation of the hydrodeoxygenation of levulinic acid to γ-valerolactone over Ru (0001) O Mamun, E Walker, M Faheem, JQ Bond, A Heyden ACS Catalysis 7 (1), 215-228, 2017 | 77 | 2017 |
A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts O Mamun, KT Winther, JR Boes, T Bligaard npj Computational Materials 6 (1), 177, 2020 | 54 | 2020 |
Investigation of solvent effects in the hydrodeoxygenation of levulinic acid to γ-valerolactone over Ru catalysts O Mamun, M Saleheen, JQ Bond, A Heyden Journal of Catalysis 379, 164-179, 2019 | 49 | 2019 |
Solvation effects in the hydrodeoxygenation of propanoic acid over a model Pd (211) catalyst S Behtash, J Lu, O Mamun, CT Williams, JR Monnier, A Heyden The Journal of Physical Chemistry C 120 (5), 2724-2736, 2016 | 48 | 2016 |
Solvent effects in the liquid phase hydrodeoxygenation of methyl propionate over a Pd (1 1 1) catalyst model S Behtash, J Lu, E Walker, O Mamun, A Heyden Journal of Catalysis 333, 171-183, 2016 | 44 | 2016 |
Machine learning augmented predictive and generative model for rupture life in ferritic and austenitic steels O Mamun, M Wenzlick, A Sathanur, J Hawk, R Devanathan Npj Materials Degradation 5 (1), 20, 2021 | 35 | 2021 |
Investigation of solvent effects on the hydrodeoxygenation of guaiacol over Ru catalysts M Saleheen, AM Verma, O Mamun, J Lu, A Heyden Catalysis Science & Technology 9 (22), 6253-6273, 2019 | 32 | 2019 |
An atomistic machine learning package for surface science and catalysis MH Hansen, JAG Torres, PC Jennings, Z Wang, JR Boes, OG Mamun, ... arXiv preprint arXiv:1904.00904, 2019 | 30 | 2019 |
A machine learning aided interpretable model for rupture strength prediction in Fe-based martensitic and austenitic alloys O Mamun, M Wenzlick, J Hawk, R Devanathan Scientific Reports 11 (1), 5466, 2021 | 25 | 2021 |
Unraveling the mechanism of the hydrodeoxygenation of propionic acid over a Pt (1 1 1) surface in vapor and liquid phases W Yang, RV Solomon, J Lu, O Mamun, JQ Bond, A Heyden Journal of Catalysis 381, 547-560, 2020 | 22 | 2020 |
Importance of angelica lactone formation in the hydrodeoxygenation of levulinic acid to γ-valerolactone over a Ru (0001) model surface O Mamun, M Saleheen, JQ Bond, A Heyden The Journal of Physical Chemistry C 121 (34), 18746-18761, 2017 | 20 | 2017 |
Investigation of the reaction mechanism of the hydrodeoxygenation of propionic acid over a Rh (1 1 1) surface: A first principles study W Yang, RV Solomon, O Mamun, JQ Bond, A Heyden Journal of Catalysis 391, 98-110, 2020 | 15 | 2020 |
Data science techniques, assumptions, and challenges in alloy clustering and property prediction M Wenzlick, O Mamun, R Devanathan, K Rose, J Hawk Journal of Materials Engineering and Performance 30, 823-838, 2021 | 10 | 2021 |
Uncertainty quantification for Bayesian active learning in rupture life prediction of ferritic steels O Mamun, MFN Taufique, M Wenzlick, J Hawk, R Devanathan Scientific Reports 12 (1), 2083, 2022 | 8 | 2022 |
Surface structure sensitivity of hydrodeoxygenation of biomass-derived organic acids over palladium catalysts: a microkinetic modeling approach SK Kundu, RV Solomon, W Yang, E Walker, O Mamun, JQ Bond, ... Catalysis Science & Technology 11 (18), 6163-6181, 2021 | 7 | 2021 |