| Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019 YG Chung, E Haldoupis, BJ Bucior, M Haranczyk, S Lee, H Zhang, ... Journal of Chemical & Engineering Data 64 (12), 5985-5998, 2019 | 661 | 2019 |
| 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 | 352 | 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 | 258 | 2019 |
| Identification schemes for metal–organic frameworks to enable rapid search and cheminformatics analysis BJ Bucior, AS Rosen, M Haranczyk, Z Yao, ME Ziebel, OK Farha, JT Hupp, ... Crystal Growth & Design 19 (11), 6682-6697, 2019 | 206 | 2019 |
| Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 Mixtures BJ Bucior, DL Chen, J Liu, JK Johnson The Journal of Physical Chemistry C 116 (49), 25904-25910, 2012 | 71 | 2012 |
| Process-level modelling and optimization to evaluate metal–organic frameworks for post-combustion capture of CO 2 D Yancy-Caballero, KT Leperi, BJ Bucior, RK Richardson, T Islamoglu, ... Molecular Systems Design & Engineering 5 (7), 1205-1218, 2020 | 63 | 2020 |
| 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 | 54 | 2023 |
| Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates P Müller, B Bucior, G Tuci, L Luconi, J Getzschmann, S Kaskel, RQ Snurr, ... Molecular Systems Design & Engineering 4 (5), 1000-1013, 2019 | 34 | 2019 |
| Machine learning using host/guest energy histograms to predict adsorption in metal–organic frameworks: Application to short alkanes and Xe/Kr mixtures Z Li, BJ Bucior, H Chen, M Haranczyk, JI Siepmann, RQ Snurr The Journal of Chemical Physics 155 (1), 2021 | 31 | 2021 |
| 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 | 29 | 2019 |
| Using mesoscopic models to design strong and tough biomimetic polymer networks IG Salib, GV Kolmakov, BJ Bucior, O Peleg, M Kröger, T Savin, V Vogel, ... Langmuir 27 (22), 13796-13805, 2011 | 22 | 2011 |
| Molecular modeling of carbon dioxide adsorption in metal-organic frameworks H Zhang, BJ Bucior, RQ Snurr Modelling and Simulation in the Science of Micro-and Meso-Porous Materials …, 2018 | 16 | 2018 |
| Adsorption and diffusion of fluids in defective carbon nanotubes: insights from molecular simulations BJ Bucior, GV Kolmakov, JAM Male, J Liu, DL Chen, P Kumar, ... Langmuir 33 (42), 11834-11844, 2017 | 16 | 2017 |
| Data-Driven Methods to Accelerate the Design of Metal-Organic Frameworks BJ Bucior Northwestern University, 2019 | | 2019 |