Andrew S Rosen

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Randall SnurrNorthwestern UniversityAdresse e-mail validée de northwestern.edu
Justin NotesteinNorthwestern UniversityAdresse e-mail validée de northwestern.edu
Kristin Aslaug Persson (nee Einarsdott...Department of Materials Science and Engineering, UC BerkeleyAdresse e-mail validée de berkeley.edu
Omar FarhaDepartment of Chemistry, Northwestern UniversityAdresse e-mail validée de northwestern.edu
Anubhav JainLawrence Berkeley National LabAdresse e-mail validée de lbl.gov
Timur IslamogluUL Research Institutes, Northwestern University, Virginia Commonwealth UniversityAdresse e-mail validée de ul.org
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Adresse e-mail validée de utoronto.ca
Gerbrand CederProfessor of Materials Science and EngineeringAdresse e-mail validée de berkeley.edu
Nicholas WalkerPostdoctoral Fellow, Lawrence Berkeley National LabAdresse e-mail validée de lbl.gov
John DagdelenDoctorate, University of California, BerkeleyAdresse e-mail validée de berkeley.edu
Alex DunnUniversity of California, BerkeleyAdresse e-mail validée de lbl.gov
Haoyuan Chen (陈浩源)Assistant Professor of Chemistry, Southern Methodist UniversityAdresse e-mail validée de smu.edu
Laura GagliardiUniversity of ChicagoAdresse e-mail validée de uchicago.edu
Debmalya RayOak Ridge National LaboratoryAdresse e-mail validée de ornl.gov
Kent KirlikovaliNorthwestern UniversityAdresse e-mail validée de northwestern.edu
Matthew HortonLawrence Berkeley National Lab, University of California BerkeleyAdresse e-mail validée de lbl.gov
Joseph HuppNorthwestern University and Argonne National LaboratoryAdresse e-mail validée de northwestern.edu
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaAdresse e-mail validée de umn.edu
Michael E. ZiebelColumbia UniversityAdresse e-mail validée de columbia.edu
Benjamin J. BuciorNorthwestern UniversityAdresse e-mail validée de u.northwestern.edu

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Andrew S Rosen

Assistant Professor of Chemical & Biological Engineering, Princeton University

Adresse e-mail validée de princeton.edu - Page d'accueil

materials discovery quantum-chemical engineering machine learning


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	348	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	304*	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	203	2019
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	155	2023
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	145	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	130	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	122	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	103	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	83	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	42	2022
An ecosystem for digital reticular chemistry KM Jablonka, AS Rosen, AS Krishnapriyan, B Smit ACS central science 9 (4), 563-581, 2023	36	2023
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
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	35	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	29	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	26	2020
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
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	24	2022
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

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