| Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery AS Rosen, SM Iyer, D Ray, Z Yao, A Aspuru-Guzik, L Gagliardi, ... Matter 4 (5), 1578-1597, 2021 | 355 | 2021 |
| Structured information extraction from scientific text with large language models J Dagdelen, A Dunn, S Lee, N Walker, AS Rosen, G Ceder, KA Persson, ... Nature Communications 15 (1), 1418, 2024 | 326* | 2024 |
| A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023 | 211 | 2023 |
| 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 |
| Correlations, trends and potential biases among publicly accessible web-based student evaluations of teaching: a large-scale study of RateMyProfessors.com data AS Rosen Assessment & Evaluation in Higher Education 43 (1), 31-44, 2018 | 144 | 2018 |
| Structure−Activity Relationships that Identify Metal−Organic Framework Catalysts for Methane Activation AS Rosen, JM Notestein, RQ Snurr ACS Catalysis, 2019 | 142 | 2019 |
| Fine-tuning a robust metal–organic framework toward enhanced clean energy gas storage Z Chen, MR Mian, SJ Lee, H Chen, X Zhang, KO Kirlikovali, S Shulda, ... Journal of the American Chemical Society 143 (45), 18838-18843, 2021 | 132 | 2021 |
| Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory AS Rosen, JM Notestein, RQ Snurr Journal of computational chemistry 40 (12), 1305-1318, 2019 | 121 | 2019 |
| A detailed combined experimental and theoretical study on dimethyl ether/propane blended oxidation EE Dames, AS Rosen, BW Weber, CW Gao, CJ Sung, WH Green Combustion and Flame 168, 310-330, 2016 | 120 | 2016 |
| High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration AS Rosen, V Fung, P Huck, CT O’Donnell, MK Horton, DG Truhlar, ... npj Computational Materials 8 (1), 1-10, 2022 | 110 | 2022 |
| Tuning the Redox Activity of Metal–Organic Frameworks for Enhanced, Selective O2 Binding: Design Rules and Ambient Temperature O2 Chemisorption in a … AS Rosen, MR Mian, T Islamoglu, H Chen, OK Farha, JM Notestein, ... Journal of the American Chemical Society 142 (9), 4317-4328, 2020 | 85 | 2020 |
| Realizing the data-driven, computational discovery of metal-organic framework catalysts AS Rosen, JM Notestein, RQ Snurr Current Opinion in Chemical Engineering 35, 100760, 2022 | 41 | 2022 |
| Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters MC Wasson, X Zhang, K Otake, AS Rosen, S Alayoglu, MD Krzyaniak, ... Chemistry of Materials 32 (19), 8522-8529, 2020 | 36 | 2020 |
| An ecosystem for digital reticular chemistry KM Jablonka, AS Rosen, AS Krishnapriyan, B Smit ACS Central Science 9 (4), 563-581, 2023 | 35 | 2023 |
| Zr6O8 Node-Catalyzed Butene Hydrogenation and Isomerization in the Metal–Organic Framework NU-1000 KE Hicks, AS Rosen, ZH Syed, RQ Snurr, OK Farha, JM Notestein Acs Catalysis 10 (24), 14959-14970, 2020 | 34 | 2020 |
| High‐Valent Metal‐Oxo Species at the Nodes of Metal−Triazolate Frameworks: The Effects of Ligand Exchange and Two‐State Reactivity for C−H Bond Activation AS Rosen, JM Notestein, RQ Snurr Angewandte Chemie International Edition, 2020 | 30 | 2020 |
| Comparing GGA, GGA+ U, and meta-GGA functionals for redox-dependent binding at open metal sites in metal–organic frameworks AS Rosen, JM Notestein, RQ Snurr The Journal of Chemical Physics 152 (22), 2020 | 29 | 2020 |
| A flexible and scalable scheme for mixing computed formation energies from different levels of theory RS Kingsbury, AS Rosen, AS Gupta, JM Munro, SP Ong, A Jain, ... npj Computational Materials 8 (1), 195, 2022 | 27 | 2022 |
| Comprehensive Phase Diagrams of MoS2 Edge Sites Using Dispersion-Corrected DFT Free Energy Calculations AS Rosen, JM Notestein, RQ Snurr The Journal of Physical Chemistry C 122 (27), 15318-15329, 2018 | 26 | 2018 |
| Tetrazine‐Linked Covalent Organic Frameworks With Acid Sensing and Photocatalytic Activity A Zadehnazari, A Khosropour, AA Altaf, AS Rosen, A Abbaspourrad Advanced Materials 36 (14), 2311042, 2024 | 22 | 2024 |
Randall SnurrNorthwestern UniversityVerified email at northwestern.edu
