| Metal–organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents NS Bobbitt, ML Mendonca, AJ Howarth, T Islamoglu, JT Hupp, OK Farha, ... Chemical Society Reviews 46 (11), 3357-3385, 2017 | 779 | 2017 |
| Inverse design of nanoporous crystalline reticular materials with deep generative models Z Yao, B Sánchez-Lengeling, NS Bobbitt, BJ Bucior, SGH Kumar, ... Nature Machine Intelligence 3 (1), 76-86, 2021 | 238 | 2021 |
| Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks BJ Bucior, NS Bobbitt, T Islamoglu, S Goswami, A Gopalan, T Yildirim, ... Molecular Systems Design & Engineering 4 (1), 162-174, 2019 | 209 | 2019 |
| High-throughput screening of metal–organic frameworks for hydrogen storage at cryogenic temperature NS Bobbitt, J Chen, RQ Snurr The Journal of Physical Chemistry C 120 (48), 27328-27341, 2016 | 162 | 2016 |
| Data mining for materials: Computational experiments with A B compounds Y Saad, D Gao, T Ngo, S Bobbitt, JR Chelikowsky, W Andreoni Physical Review B 85 (10), 104104, 2012 | 114 | 2012 |
| Molecular modelling and machine learning for high-throughput screening of metal-organic frameworks for hydrogen storage NS Bobbitt, RQ Snurr Molecular Simulation 45 (14-15), 1069-1081, 2019 | 82 | 2019 |
| Tunable Crystallinity and Charge Transfer in Two‐Dimensional G‐Quadruplex Organic Frameworks YL Wu, NS Bobbitt, JL Logsdon, NE Powers‐Riggs, JN Nelson, X Liu, ... Angewandte Chemie International Edition 57 (15), 3985-3989, 2018 | 25 | 2018 |
| Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites A Gopalan, BJ Bucior, NS Bobbitt, RQ Snurr Molecular Physics 117 (23-24), 3683-3694, 2019 | 23 | 2019 |
| MOFX-DB: An online database of computational adsorption data for nanoporous materials NS Bobbitt, K Shi, BJ Bucior, H Chen, N Tracy-Amoroso, Z Li, Y Sun, ... Journal of Chemical & Engineering Data 68 (2), 483-498, 2023 | 20 | 2023 |
| Structurally Driven Environmental Degradation of Friction in MoS2 Films JF Curry, T Ohta, FW DelRio, P Mantos, M R. Jones, T F. Babuska, ... Tribology Letters 69 (3), 96, 2021 | 19 | 2021 |
| Structure and activity of mixed VOx-CeO2 domains supported on alumina in cyclohexane oxidative dehydrogenation IA Samek, NS Bobbitt, RQ Snurr, PC Stair Journal of catalysis 384, 147-158, 2020 | 19 | 2020 |
| Interactions of VOx Species with Amorphous TiO2 Domains on ALD-Derived Alumina-Supported Materials IA Samek, NS Bobbitt, RQ Snurr, PC Stair The Journal of Physical Chemistry C 123 (13), 7988-7999, 2018 | 17 | 2018 |
| High order forces and nonlocal operators in a Kohn–Sham Hamiltonian NS Bobbitt, G Schofield, C Lena, JR Chelikowsky Physical Chemistry Chemical Physics 17 (47), 31542-31549, 2015 | 17 | 2015 |
| Compositionally graded joints between magnetically dissimilar alloys achieved through directed energy deposition S Firdosy, N Ury, AB Kustas, JD Carroll, P Pathare, Z Casias, D Tung, ... Scripta Materialia 202, 114005, 2021 | 14 | 2021 |
| A first-principles study of the electronic and structural properties of Sb and F doped SnO2 nanocrystals M Kim, N Marom, N Scott Bobbitt, JR Chelikowsky The Journal of chemical physics 142 (4), 2015 | 13 | 2015 |
| Topological effects on separation of alkane isomers in metal− organic frameworks NS Bobbitt, AS Rosen, RQ Snurr Fluid Phase Equilibria 519, 112642, 2020 | 10 | 2020 |
| Ab Initio Screening of Metal Catecholates for Adsorption of Toxic Pnictogen Hydride Gases NS Bobbitt, RQ Snurr Industrial & Engineering Chemistry Research 56 (48), 14324-14336, 2017 | 9 | 2017 |
| Real space pseudopotential calculations for size trends in Ga-and Al-doped zinc oxide nanocrystals with wurtzite and zincblende structures NS Bobbitt, N Sai, N Marom, M Kim, JR Chelikowsky The Journal of chemical physics 141 (9), 2014 | 8 | 2014 |
| Additive manufacturing of high-strength multiphase nanostructures in the binary Ni–Nb system for the discovery of new types of superalloys MR Jones, FW DelRio, JW Pegues, P Lu, R Puckett, NS Bobbitt, TJ Hardin, ... Journal of Materials Research 36 (16), 3167-3181, 2021 | 7 | 2021 |
| Interactions of Water with Pristine and Defective MoS2 NS Bobbitt, M Chandross Langmuir 38 (34), 10419-10429, 2022 | 6 | 2022 |
Randall SnurrNorthwestern UniversityVerified email at northwestern.edu
