| 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 | 358 | 2019 |
| Rapid, selective heavy metal removal from water by a metal–organic framework/polydopamine composite DT Sun, L Peng, WS Reeder, SM Moosavi, D Tiana, DK Britt, E Oveisi, ... ACS central science 4 (3), 349-356, 2018 | 311 | 2018 |
| Big-data science in porous materials: materials genomics and machine learning KM Jablonka, D Ongari, SM Moosavi, B Smit Chemical reviews 120 (16), 8066-8129, 2020 | 252 | 2020 |
| 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, 4068, 2020 | 239 | 2020 |
| Quantifying similarity of pore-geometry in nanoporous materials Y Lee, SD Barthel, P Dłotko, SM Moosavi, K Hess, B Smit Nature communications 8 (1), 1-8, 2017 | 217 | 2017 |
| 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 | 169 | 2017 |
| The role of machine learning in the understanding and design of materials SM Moosavi, KM Jablonka, B Smit Journal of the American Chemical Society 142 (48), 20273-20287, 2020 | 158 | 2020 |
| Capturing chemical intuition in synthesis of metal-organic frameworks SM Moosavi, A Chidambaram, L Talirz, M Haranczyk, KC Stylianou, ... Nature communications 10 (1), 539, 2019 | 158 | 2019 |
| Generating carbon schwarzites via zeolite-templating E Braun, Y Lee, SM Moosavi, S Barthel, R Mercado, IA Baburin, ... Proceedings of the National Academy of Sciences 115 (35), E8116-E8124, 2018 | 95 | 2018 |
| Anomalous effects of velocity rescaling algorithms: the flying ice cube effect revisited E Braun, SM Moosavi, B Smit Journal of chemical theory and computation 14 (10), 5262-5272, 2018 | 86 | 2018 |
| Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids SM Moosavi, PG Boyd, L Sarkisov, B Smit ACS Central Science, 2018 | 67 | 2018 |
| High-throughput screening approach for nanoporous materials genome using topological data analysis: application to zeolites Y Lee, SD Barthel, P Dłotko, SM Moosavi, K Hess, B Smit Journal of chemical theory and computation 14 (8), 4427-4437, 2018 | 64 | 2018 |
| Preserving porosity of mesoporous metal–organic frameworks through the introduction of polymer guests L Peng, S Yang, S Jawahery, SM Moosavi, AJ Huckaba, M Asgari, ... Journal of the American Chemical Society 141 (31), 12397-12405, 2019 | 60 | 2019 |
| Using collective knowledge to assign oxidation states of metal cations in metal–organic frameworks KM Jablonka, D Ongari, SM Moosavi, B Smit Nature Chemistry, 1-7, 2021 | 39* | 2021 |
| Toward smart carbon capture with machine learning M Rahimi, SM Moosavi, B Smit, TA Hatton Cell reports physical science 2 (4), 2021 | 38 | 2021 |
| Biporous Metal–Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility A Gładysiak, KS Deeg, I Dovgaliuk, A Chidambaram, K Ordiz, PG Boyd, ... ACS applied materials & interfaces 10 (42), 36144-36156, 2018 | 31 | 2018 |
| Transport characteristics of saturated gas diffusion layers treated with hydrophobic coatings SM Moosavi, M Niffeler, J Gostick, S Haussener Chemical Engineering Science 176, 503-514, 2018 | 31 | 2018 |
| Translational and rotational motion of C8 aromatics adsorbed in isotropic porous media (MOF-5): NMR studies and MD simulations VJ Witherspoon, LM Yu, S Jawahery, E Braun, SM Moosavi, SK Schnell, ... The Journal of Physical Chemistry C 121 (28), 15456-15462, 2017 | 26 | 2017 |
| Diversifying databases of metal organic frameworks for high-throughput computational screening S Majumdar, SM Moosavi, KM Jablonka, D Ongari, B Smit ACS applied materials & interfaces 13 (51), 61004-61014, 2021 | 23 | 2021 |
| SELFIES and the future of molecular string representations M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ... Patterns 3 (10), 100588, 2022 | 22 | 2022 |
Berend SmitCollege of Chemistry, UC Berkeley and EPFLVerified email at epfl.ch
