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Andrew S Rosen
Andrew S Rosen
Assistant Professor of Chemical & Biological Engineering, Princeton University
Bestätigte E-Mail-Adresse bei princeton.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
3502021
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
308*2024
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
2032019
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
1612023
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
1452018
Structure−Activity Relationships that Identify Metal−Organic Framework Catalysts for Methane Activation
AS Rosen, JM Notestein, RQ Snurr
ACS Catalysis, 2019
1422019
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
1312021
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
1222019
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
1202016
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
1032022
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
832020
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
422022
An ecosystem for digital reticular chemistry
KM Jablonka, AS Rosen, AS Krishnapriyan, B Smit
ACS central science 9 (4), 563-581, 2023
362023
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
362020
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
352020
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
292020
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
262020
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
262018
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
242022
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
222024
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