| Direct observation and quantification of CO2 binding within an amine-functionalized nanoporous solid R Vaidhyanathan, SS Iremonger, GKH Shimizu, PG Boyd, S Alavi, ... Science 330 (6004), 650-653, 2010 | 970 | 2010 |
| Data-driven design of metal–organic frameworks for wet flue gas CO2 capture PG Boyd, A Chidambaram, E García-Díez, CP Ireland, TD Daff, R Bounds, ... Nature 576 (7786), 253-256, 2019 | 615 | 2019 |
| Understanding the diversity of the metal-organic framework ecosystem SM Moosavi, A Nandy, KM Jablonka, D Ongari, JP Janet, PG Boyd, Y Lee, ... Nature communications 11 (1), 1-10, 2020 | 455 | 2020 |
| Rapid and Accurate Machine Learning Recognition of High Performing Metal Organic Frameworks for CO2 Capture M Fernandez, PG Boyd, TD Daff, MZ Aghaji, TK Woo The journal of physical chemistry letters 5 (17), 3056-3060, 2014 | 289 | 2014 |
| Force-field prediction of materials properties in metal-organic frameworks PG Boyd, SM Moosavi, M Witman, B Smit The journal of physical chemistry letters 8 (2), 357-363, 2017 | 247 | 2017 |
| Accurate characterization of the pore volume in microporous crystalline materials D Ongari, PG Boyd, S Barthel, M Witman, M Haranczyk, B Smit Langmuir 33 (51), 14529-14538, 2017 | 236 | 2017 |
| Computational development of the nanoporous materials genome PG Boyd, Y Lee, B Smit Nature Reviews Materials 2 (8), 1-15, 2017 | 176 | 2017 |
| Competition and Cooperativity in Carbon Dioxide Sorption by Amine‐Functionalized Metal–Organic Frameworks R Vaidhyanathan, SS Iremonger, GKH Shimizu, PG Boyd, S Alavi, ... Angewandte Chemie 8 (124), 1862-1865, 2012 | 154 | 2012 |
| A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory PG Boyd, TK Woo CrystEngComm 18 (21), 3777-3792, 2016 | 149 | 2016 |
| The influence of intrinsic framework flexibility on adsorption in nanoporous materials M Witman, S Ling, S Jawahery, PG Boyd, M Haranczyk, B Slater, B Smit Journal of the American Chemical Society 139 (15), 5547-5557, 2017 | 125 | 2017 |
| Fast and accurate electrostatics in metal organic frameworks with a robust charge equilibration parameterization for high-throughput virtual screening of gas adsorption ES Kadantsev, PG Boyd, TD Daff, TK Woo The Journal of Physical Chemistry Letters 4 (18), 3056-3061, 2013 | 117 | 2013 |
| Evaluating charge equilibration methods to generate electrostatic fields in nanoporous materials D Ongari, PG Boyd, O Kadioglu, AK Mace, S Keskin, B Smit Journal of chemical theory and computation 15 (1), 382-401, 2018 | 101 | 2018 |
| Improving the mechanical stability of metal–organic frameworks using chemical caryatids SM Moosavi, PG Boyd, L Sarkisov, B Smit ACS central science 4 (7), 832-839, 2018 | 94 | 2018 |
| Quantitative structure–property relationship models for recognizing metal organic frameworks (MOFs) with high CO2 working capacity and CO2/CH4 selectivity for methane purification MZ Aghaji, M Fernandez, PG Boyd, TD Daff, TK Woo European Journal of Inorganic Chemistry 2016 (27), 4505-4511, 2016 | 89 | 2016 |
| Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor SL Anderson, PG Boyd, A Gładysiak, TN Nguyen, RG Palgrave, D Kubicki, ... Nature communications 10 (1), 1612, 2019 | 68 | 2019 |
| High-Performing Deep Learning Regression Models for Predicting Low-Pressure CO2 Adsorption Properties of Metal–Organic Frameworks J Burner, L Schwiedrzik, M Krykunov, J Luo, PG Boyd, TK Woo The Journal of Physical Chemistry C 124 (51), 27996-28005, 2020 | 66 | 2020 |
| ARC–MOF: a diverse database of metal-organic frameworks with DFT-derived partial atomic charges and descriptors for machine learning J Burner, J Luo, A White, A Mirmiran, O Kwon, PG Boyd, S Maley, ... Chemistry of Materials 35 (3), 900-916, 2023 | 57 | 2023 |
| Text mining metal–organic framework papers S Park, B Kim, S Choi, PG Boyd, B Smit, J Kim Journal of chemical information and modeling 58 (2), 244-251, 2018 | 55 | 2018 |
| An unprecedented Co II cuboctahedron as the secondary building unit in a Co-based metal–organic framework RJ Holmberg, M Kay, I Korobkov, E Kadantsev, PG Boyd, T Aharen, ... Chemical Communications 50 (40), 5333-5335, 2014 | 45 | 2014 |
| Cutting materials in half: A graph theory approach for generating crystal surfaces and its prediction of 2D zeolites M Witman, S Ling, P Boyd, S Barthel, M Haranczyk, B Slater, B Smit ACS central science 4 (2), 235-245, 2018 | 39 | 2018 |
