Andrew S. Rosen, Ph.D.
Affiliations: | 2024- | Chemical and Biological Engineering | Princeton University, Princeton, NJ |
Area:
Computational materials design and discoveryWebsite:
https://cbe.princeton.edu/people/andrew-rosenGoogle:
"Andrew S. Rosen"Parents
Sign in to add mentor| Justin M. Notestein | grad student | 2016-2021 | Northwestern |
| Randall Q. Snurr | grad student | 2016-2021 | Northwestern |
| Kristin Aslaug Ceder-Persson | post-doc | 2021- | UC Berkeley |
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Publications
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| Yuan EC, Kumar A, Guan X, et al. (2024) Analytical ab initio hessian from a deep learning potential for transition state optimization. Nature Communications. 15: 8865 |
| Dagdelen J, Dunn A, Lee S, et al. (2024) Structured information extraction from scientific text with large language models. Nature Communications. 15: 1418 |
| Knapp JG, Wang X, Rosen AS, et al. (2023) Evidence of a Uranium-Paddlewheel Node in a Catecholate-Based Metal-Organic Framework. Angewandte Chemie (International Ed. in English). e202305526 |
| Jablonka KM, Rosen AS, Krishnapriyan AS, et al. (2023) An Ecosystem for Digital Reticular Chemistry. Acs Central Science. 9: 563-581 |
| Rosen AS, Vijay S, Persson KA. (2023) Free-atom-like d states beyond the dilute limit of single-atom alloys. Chemical Science. 14: 1503-1511 |
| Rosen AS, Notestein JM, Snurr RQ. (2022) Exploring mechanistic routes for light alkane oxidation with an iron-triazolate metal-organic framework. Physical Chemistry Chemical Physics : Pccp. 24: 8129-8141 |
| Chen Z, Mian MR, Lee SJ, et al. (2021) Fine-Tuning a Robust Metal-Organic Framework toward Enhanced Clean Energy Gas Storage. Journal of the American Chemical Society |
| Rosen AS, Iyer SM, Ray D, et al. (2021) Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery Matter. 4: 1578-1597 |
| Rosen AS, Notestein JM, Snurr RQ. (2020) Comparing GGA, GGA+U, and meta-GGA functionals for redox-dependent binding at open metal sites in metal-organic frameworks. The Journal of Chemical Physics. 152: 224101 |
| Rosen AS, Notestein JM, Snurr RQ. (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. Angewandte Chemie (International Ed. in English) |