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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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Multiscale Nuclear-Electronic Orbital Quantum Dynamics in Complex Environments
Hammes-Schiffer, S. (PI)
3/1/24 → 8/31/26
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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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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Capturing nuclear quantum effects in high-pressure superconducting hydrides and ice with nuclear–electronic orbital theory
Smith, L. E., Settembri, P., Cucciari, A., Boeri, L., Profeta, G. & Hammes-Schiffer, S., May 26 2026, In: Proceedings of the National Academy of Sciences of the United States of America. 123, 21, e2605545123.Research output: Contribution to journal › Article › peer-review
Open Access -
Concerted Proton–Electron Transfer Minimizes Substituent Effects on Adsorbed Phthalocyanine Electrocatalysis
Mannava, V., Smith, L. E., Gardner, J. G., Hammes-Schiffer, S. & Surendranath, Y., Feb 25 2026, In: Journal of the American Chemical Society. 148, 7, p. 6939-6950 12 p.Research output: Contribution to journal › Article › peer-review
Open Access1 Link opens in a new tab Scopus citations -
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 Access1 Link opens in a new tab Scopus citations -
Efficient and robust optimization of nuclear and electronic orbitals within the nuclear Hartree product representation
Chow, M., Paenurk, E. & Hammes-Schiffer, S., Feb 21 2026, In: Journal of Chemical Physics. 164, 7, 074103.Research output: Contribution to journal › Article › peer-review
Open Access2 Link opens in a new tab Scopus citations -
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 Access3 Link opens in a new tab Scopus citations