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Dive into the research topics where Andrew Scott Rosen is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Projects
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Collaborative Research: Frameworks: SINAPSE: Scalable Infrastructure for AI-coupled Predictive Simulation Enhancement
Rosen, A. S. (PI)
NSF - National Science Foundation
10/1/25 → 9/30/28
Project: Research project
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Computational modeling of a high-entropy alloy for enhanced ammonia synthesis
Baratta, J. H. & Rosen, A. S., Jun 19 2025, In: Chem Catalysis. 5, 6, 101426.Research output: Contribution to journal › Comment/debate › peer-review
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Machine learned potential for high-throughput phonon calculations of metal—organic frameworks
Elena, A. M., Kamath, P. D., Jaffrelot Inizan, T., Rosen, A. S., Zanca, F. & Persson, K. A., Dec 2025, In: npj Computational Materials. 11, 1, 125.Research output: Contribution to journal › Article › peer-review
Open Access -
Analytical ab initio hessian from a deep learning potential for transition state optimization
Yuan, E. C. Y., Kumar, A., Guan, X., Hermes, E. D., Rosen, A. S., Zádor, J., Head-Gordon, T. & Blau, S. M., Dec 2024, In: Nature communications. 15, 1, 8865.Research output: Contribution to journal › Article › peer-review
8 Scopus citations -
cclib 2.0: An updated architecture for interoperable computational chemistry
Berquist, E., Dumi, A., Upadhyay, S., Abarbanel, O. D., Cho, M., Gaur, S., Cano Gil, V. H., Hutchison, G. R., Lee, O. S., Rosen, A. S., Schamnad, S., Schneider, F. S. S., Steinmann, C., Stolyarchuk, M., Vandezande, J. E., Zak, W. & Langner, K. M., Jul 28 2024, In: Journal of Chemical Physics. 161, 4, 042501.Research output: Contribution to journal › Article › peer-review
Open Access -
Investigating the behavior of diffusion models for accelerating electronic structure calculations
Rothchild, D., Rosen, A. S., Taw, E., Robinson, C., Gonzalez, J. E. & Krishnapriyan, A. S., Jul 22 2024, In: Chemical Science. 15, 33, p. 13506-13522 17 p.Research output: Contribution to journal › Article › peer-review
Open Access