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Collaborations and top research areas from the last five years
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Photoinduced Proton-Coupled Electron or Energy Transfer
Hammes-Schiffer, S. (PI)
NSF - National Science Foundation
8/1/24 → 7/31/27
Project: Research project
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Coupled Protons and Electrons in Biological Systems
Hammes-Schiffer, S. (PI)
1/3/24 → 12/31/26
Project: Research project
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Collaborative Research: Frameworks: Sustainable Open-Source Quantum Dynamics and Spectroscopy Software
Hammes-Schiffer, S. (PI)
NSF - National Science Foundation
11/1/23 → 7/31/27
Project: Research project
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Multiscale Nuclear-Electronic Orbital Quantum Dynamics in Complex Environments
Hammes-Schiffer, S. (PI)
3/1/24 → 8/31/25
Project: Research project
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Non-Born-Oppenheimer Effects in the Framework of Multicomponent Time-Dependent Density Functional Theory
Hammes-Schiffer, S. (PI)
NSF - National Science Foundation
1/15/24 → 7/31/24
Project: Research project
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Conformationally gated multisite proton-coupled electron transfer in the ribonucleotide reductase β subunit
Deng, J. & Hammes-Schiffer, S., Feb 3 2026, In: Proceedings of the National Academy of Sciences of the United States of America. 123, 5, e2535102123.Research output: Contribution to journal › Article › peer-review
Open Access -
Electrochemical Proton-Coupled Electron Transfer at a Metal–Semiconductor–Solution Interface
Cui, K., Westendorff, K. S., Román-Leshkov, Y., Surendranath, Y. & Hammes-Schiffer, S., Feb 6 2026, In: ACS Catalysis. 16, 3, p. 2234-2243 10 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Nuclear–electronic orbital second-order coupled cluster for excited states
Fetherolf, J. H., Pavošević, F. & Hammes-Schiffer, S., Jan 28 2026, In: Journal of Chemical Physics. 164, 4, 044120.Research output: Contribution to journal › Article › peer-review
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Computing Hydrogen Tunneling Splittings with Nuclear−Electronic Orbital Multireference Configuration Interaction
Stein, R. J., Malbon, C. L. & Hammes-Schiffer, S., Jul 31 2025, In: Journal of Physical Chemistry Letters. 16, 30, p. 7718-7724 7 p.Research output: Contribution to journal › Article › peer-review
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Consequences of Kramers–Kronig relations on Kleinman antisymmetric spectral observables: Chiral-specific sum frequency generation spectroscopy
Tremblay, M., Santiago, T., Olesen, K., Hammes-Schiffer, S., Yan, E. C. Y. & Simpson, G. J., Dec 7 2025, In: Journal of Chemical Physics. 163, 21, 214711.Research output: Contribution to journal › Article › peer-review
Open Access