DCP Awards
FOCUS · MAR-G71 · ID: MAR-G71
Presentations
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Plyler Prize: Deciphering spectral signatures of proton delocalization in complexes of hydroxide and hydronium ions with water molecules
Invited-In-person · Invited
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Presenters
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Anne McCoy
- University of Washington
Authors
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Anne McCoy
- University of Washington
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Jankunas Dissertation Award (Finalists): A phase-space electronic structure framework to nonadiabatic dynamics and spin chemistry
Invited-In-person · Invited
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Presenters
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Xuezhi Bian
- Princeton University
Authors
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Xuezhi Bian
- Princeton University
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Zhen Tao
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Titouan Duston
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Joseph Subotnik
- Princeton University
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Jankunas Dissertation Award (Finalists): Ab Initio Simulations of Molecular Quantum Dynamics and Exciton-Polaritons
Invited-In-person · Invited
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Publication: J. Chem. Phys. 155, 084106 (2021)
J. Chem. Phys. 157, 194109 (2022)
J. Phys. Chem. Lett. 2023, 14, 25, 5901–5913
Phys. Chem. Chem. Phys., 2023, 25, 31554-31577
Chem. Rev. 2023, 123, 16, 9786–9879
Phys. Rev. A 109, 032804 (2024)
Phys. Rev. B 109, 104305 (2024)
J. Am. Chem. Soc. 2024, 146, 23, 16184–16193
J. Chem. Phys. 162, 084105 (2025)
J. Phys. Chem. A 2025, 129, 25, 5458–5468
Phys. Rev. A 112, 013713 (2025)Presenters
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Braden Weight
- Los Alamos National Laboratory
Authors
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Braden Weight
- Los Alamos National Laboratory
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Jankunas Dissertation Award (Finalists): Practical Electronic Structure Methods for Strongly Correlated Electron Simulations
Invited-In-person · Invited
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Publication: • Zhu, T.†, Peng, L.†, Zhai, H., Cui, Z. H., and Chan, G. K. L. Towards an Exact Electronic Quantum Many-Body Treatment of Kondo Correlation in Magnetic Impurities. arXiv:2405.18709, 2024. Science, in press. (†these authors contributed equally)
• Peng, L., Liu, S., Zhang, X., Chen, X., Li, C., Cheng, H.-P., and Chan, G. K.-L. Accurate Crystal Field Hamiltonians of Single-Ion Magnets at Mean-Field Cost. arXiv:2505.16905, 2025. J. Phys. Chem. Lett. in press.
• Gakiya-Teruya, M.†, Stewart, R.†, Peng, L., Liu, S., Li, C., Cheng, H.-P., Chan, G. K.-L., Hill, S., and Shatruk, M. A 54.6 GHz Clock Transition in Ho3+ Electron Spin Qubits Assembled into a Metal–Organic Framework. J. Am. Chem. Soc., 2025, 147(27), 24068–24076.
• Peng, L., Zhai, H., Zhu, T., and Chan, G. K. L. Basis-Insensitive Full-Cell Dynamic Mean-Field Theory on Infinite-Layer Cuprate and Nickelate. Manuscript in preparation.
• Peng, L., Zhang, X., and Chan, G. K.-L. Fermionic Reduced Density Low-Rank Matrix Completion, Noise Filtering, and Measurement Reduction in Quantum Simulations. J. Chem. Theory Comput., 2023, 19(24), 9151–9160.Presenters
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Linqing Peng
- Princeton University
Authors
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Linqing Peng
- Princeton University
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Ultrafast Nonadiabatic Dynamics in Gas and Liquid Phases Probed by Extreme-Ultraviolet Time-Resolved Photoelectron Spectroscopy
Oral-In-person
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Presenters
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Toshinori Suzuki
- Kyoto Univ
Authors
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Toshinori Suzuki
- Kyoto Univ
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Toward a Rational Understanding of Polariton Chemistry
Oral-In-person
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Presenters
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Wei Xiong
- University of California, San Diego
Authors
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Wei Xiong
- University of California, San Diego
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A New Perspective on Ion Receptors – Spectroscopy of Isolated Supramolecular Ion Complexes in Vacuo and Solution
Oral-In-person
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Publication: 1. L. M. Terry, M. M. Foreman, A. P. Rasmussen, A. B. McCoy, J. M. Weber, "Probing Ion-Receptor Interactions in Halide Complexes of Octamethyl Calix[4]Pyrrole", J. Am. Chem. Soc. 146 (2024) 12401–12409. https://doi.org/10.1021/jacs.3c13445
2. L. M. Terry, M. M. Foreman, J. M. Weber, "Effects of Anion Size, Shape, and Solvation in Binding of Nitrate to Octamethyl Calix[4]Pyrrole", J. Phys. Chem. Lett. 15 (2024) 9481–9486. https://doi.org/10.1021/acs.jpclett.4c02347
3. L. M. Terry, M. M. Foreman, J. M. Weber, "Isomerism and Solvent Interaction in Octamethyl Calix[4]pyrrole Complexed with Formate", J. Phys. Chem. B 129 (2025) 3436–3442. https://doi.org/10.1021/acs.jpcb.5c00393
Presenters
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J. Mathias Weber
- University of Colorado, Boulder
Authors
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J. Mathias Weber
- University of Colorado, Boulder
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