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Cory M. Simon
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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
3832016
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
3802014
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
3632015
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
2502015
pyIAST: Ideal adsorbed solution theory (IAST) Python package
CM Simon, B Smit, M Haranczyk
Computer Physics Communications 200, 364-380, 2016
2492016
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
2072018
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
2072017
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
1702014
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
1282017
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
982014
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
932019
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
912017
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
822019
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
672015
Bayesian optimization of nanoporous materials
A Deshwal, CM Simon, JR Doppa
Molecular Systems Design & Engineering 6 (12), 1066-1086, 2021
662021
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
612013
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
582014
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
572016
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
502020
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
492017
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