| Metal–organic framework with optimally selective xenon adsorption and separation D Banerjee, CM Simon, AM Plonka, RK Motkuri, J Liu, X Chen, B Smit, ... Nature Communications 7 (1), 1-7, 2016 | 415 | 2016 |
| Kinetically tuned dimensional augmentation as a versatile synthetic route towards robust metal–organic frameworks D Feng, K Wang, Z Wei, YP Chen, CM Simon, RK Arvapally, RL Martin, ... Nature communications 5 (1), 5723, 2014 | 408 | 2014 |
| The materials genome in action: identifying the performance limits for methane storage CM Simon, J Kim, DA Gomez-Gualdron, JS Camp, YG Chung, RL Martin, ... Energy & Environmental Science 8 (4), 1190-1199, 2015 | 396 | 2015 |
| pyIAST: Ideal adsorbed solution theory (IAST) Python package CM Simon, B Smit, M Haranczyk Computer Physics Communications 200, 364-380, 2016 | 280 | 2016 |
| What are the best materials to separate a xenon/krypton mixture? CM Simon, R Mercado, SK Schnell, B Smit, M Haranczyk Chemistry of Materials 27 (12), 4459-4475, 2015 | 272 | 2015 |
| Xenon gas separation and storage using metal-organic frameworks D Banerjee, CM Simon, SK Elsaidi, M Haranczyk, PK Thallapally Chem 4 (3), 466-494, 2018 | 235 | 2018 |
| Materials genome in action: identifying the performance limits of physical hydrogen storage AW Thornton, CM Simon, J Kim, O Kwon, KS Deeg, K Konstas, SJ Pas, ... Chemistry of Materials 29 (7), 2844-2854, 2017 | 231 | 2017 |
| In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials RL Martin, CM Simon, B Smit, M Haranczyk Journal of the American Chemical Society 136 (13), 5006-5022, 2014 | 183 | 2014 |
| Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M= Fe, Ni) pillared square grid networks SK Elsaidi, MH Mohamed, CM Simon, E Braun, T Pham, KA Forrest, W Xu, ... Chemical Science 8 (3), 2373-2380, 2017 | 138 | 2017 |
| The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation A Sturluson, MT Huynh, AR Kaija, C Laird, S Yoon, F Hou, Z Feng, ... Molecular simulation 45 (14-15), 1082-1121, 2019 | 108 | 2019 |
| High-Throughput Computational Screening of Multivariate Metal–Organic Frameworks (MTV-MOFs) for CO2 Capture S Li, YG Chung, CM Simon, RQ Snurr The journal of physical chemistry letters 8 (24), 6135-6141, 2017 | 106 | 2017 |
| Optimizing nanoporous materials for gas storage CM Simon, J Kim, LC Lin, RL Martin, M Haranczyk, B Smit Physical Chemistry Chemical Physics 16 (12), 5499-5513, 2014 | 105 | 2014 |
| Understanding gas storage in cuboctahedral porous coordination cages GR Lorzing, AJ Gosselin, BA Trump, AHP York, A Sturluson, CA Rowland, ... Journal of the American Chemical Society 141 (30), 12128-12138, 2019 | 93 | 2019 |
| Bayesian optimization of nanoporous materials A Deshwal, CM Simon, JR Doppa Molecular Systems Design & Engineering 6 (12), 1066-1086, 2021 | 83 | 2021 |
| In silico discovery of high deliverable capacity metal–organic frameworks Y Bao, RL Martin, CM Simon, M Haranczyk, B Smit, MW Deem The Journal of Physical Chemistry C 119 (1), 186-195, 2015 | 71 | 2015 |
| Message passing neural networks for partial charge assignment to metal–organic frameworks A Raza, A Sturluson, CM Simon, X Fern The Journal of Physical Chemistry C 124 (35), 19070-19082, 2020 | 64 | 2020 |
| In Silico Design of Three-Dimensional Porous Covalent Organic Frameworks via Known Synthesis Routes and Commercially Available Species RL Martin, CM Simon, B Medasani, DK Britt, B Smit, M Haranczyk The Journal of Physical Chemistry C 118 (41), 23790-23802, 2014 | 63 | 2014 |
| Pattern formation of Rho GTPases in single cell wound healing C Simon, E Vaughan, W Bement, L Edelstein-Keshet Molecular Biology of the Cell 24 (3), 421-432, 2013 | 62 | 2013 |
| Noria: A Highly Xe‐Selective Nanoporous Organic Solid RS Patil, D Banerjee, CM Simon, JL Atwood, PK Thallapally Chemistry–A European Journal 22 (36), 12618-12623, 2016 | 58 | 2016 |
| Statistical mechanical model of gas adsorption in porous crystals with dynamic moieties CM Simon, E Braun, C Carraro, B Smit Proceedings of the National Academy of Sciences 114 (3), E287-E296, 2017 | 54 | 2017 |
Praveen K. ThallapallyScientist, Pacific Northwest National LaboratoryE-mail megerősítve itt: pnnl.gov
