Projects per year
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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 → 12/31/25
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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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
1 Scopus citations -
Drug binding disrupts chiral water structures in the DNA first hydration shell
Santiago, T., Konstantinovsky, D., Tremblay, M., Perets, E. A., Hammes-Schiffer, S. & Yan, E. C. Y., Mar 13 2025, In: Chemical Science. 16, 16, p. 6853-6861 9 p.Research output: Contribution to journal › Article › peer-review
Open Access2 Scopus citations -
Energy conservation in real-time nuclear-electronic orbital Ehrenfest dynamics
Li, T. E., Li, X. & Hammes-Schiffer, S., Apr 14 2025, In: Journal of Chemical Physics. 162, 14, 144106.Research output: Contribution to journal › Article › peer-review
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Explaining Kinetic Isotope Effects in Proton-Coupled Electron Transfer Reactions
Hammes-Schiffer, S., Apr 15 2025, In: Accounts of chemical research. 58, 8, p. 1335-1344 10 p.Research output: Contribution to journal › Article › peer-review
9 Scopus citations -
Hydrogen Tunneling and Conformational Motions in Nonadiabatic Proton-Coupled Electron Transfer between Interfacial Tyrosines in Ribonucleotide Reductase
Zhong, J., Zhu, Q., Soudackov, A. V. & Hammes-Schiffer, S., Feb 5 2025, In: Journal of the American Chemical Society. 147, 5, p. 4459-4468 10 p.Research output: Contribution to journal › Article › peer-review
2 Scopus citations