Publications

Rupprecht, P.; Montorsi, F.; Xu, L.; Puskar, N. G.; Garavelli, M.; Mukamel, S.; Govind, N.; Neumark, D. M.; Keefer, D.; Leone, S. R.: Tracing Long-Lived Atomic Coherences Generated via Molecular Conical Intersections. Physical Review Letters 135, 233201 (2025)

Otterpohl, F.; Keefer, D.; Mukamel, S.; Thorwart, M.: Coherent Ultrafast Stimulated X-Ray Raman Spectroscopy of Dissipative Conical Intersections. Physical Review Letters 133 (9), 098001 (2024)

Dodia, M.; Rouxel, J. R.; Cho, D.; Zhang, Y.; Keefer, D.; Bonn, M.; Nagata, Y.; Mukamel, S.: Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of Chemical Theory and Computation 20 (10), pp. 4254 - 4264 (2024)

Jaiswal, V. K.; Montorsi, F.; Aleotti, F.; Segatta, F.; Keefer, D.; Mukamel, S.; Nenov, A.; Conti, I.; Garavelli, M.: Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level. The Journal of Chemical Physics 160 (16), 164316 (2024)

Cavaletto, S. M.; Nam, Y.; Rouxel, J. R.; Keefer, D.; Yong, H.; Mukamel, S.: Attosecond monitoring of nonadiabatic molecular dynamics by transient x-ray transmission spectroscopy. Journal of Chemical Theory and Computation 19 (8), pp. 2327 - 2339 (2023)

Keefer, D.; Cavaletto, S. M.; Rouxel, J. R.; Garavelli, M.; Yong, H.; Mukamel, S.: Ultrafast x-ray probes of elementary molecular events. Annual Review of Physical Chemistry 74, pp. 73 - 97 (2023)

Nam, Y.; Song, H.; Freixas, V. M.; Keefer, D.; Fernandez-Alberti, S.; Lee, J. Y.; Garavelli, M.; Tretiak, S.; Mukamel, S.: Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an x-ray probe: a simulation study. Chemical Science 14 (11), pp. 2971 - 2982 (2023)

Yong, H.; Keefer, D.; Mukamel, S.: Novel ultrafast molecular imaging based on the combination of x-ray and electron diffraction. The Journal of Physical Chemistry A 127 (3), pp. 835 - 841 (2023)

Asban, S.; Keefer, D.; Chernyak, V. Y.; Mukamel, S.: Sensing ultrashort electronic coherent beating at conical intersections by single-electron pulses. PNAS 119 (22), e2205510119 (2022)

Cavaletto, S. M.; Keefer, D.; Mukamel, S.: Electronic coherences in nonadiabatic molecular photophysics revealed by time-resolved photoelectron spectroscopy. PNAS 119 (11), e2121383119 (2022)

Freixas, V. M.; Keefer, D.; Tretiak, S.; Fernandez-Alberti, S.; Mukamel, S.: Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by x-ray stimulated raman-signals. Chemical Science 13 (21), pp. 6373 - 6384 (2022)

Gu, B.; Keefer, D.; Mukamel, S.: Wave packet control and simulation protocol for entangled two-photon absorption of molecules. Journal of Chemical Theory and Computation 18 (1), pp. 406 - 414 (2022)

Nam, Y.; Cho, D.; Gu, B.; Rouxel, J. R.; Keefer, D.; Govind, N.; Mukamel, S.: Time-evolving chirality loss in molecular photodissociation monitored by x-ray circular dichroism spectroscopy. Journal of the American Chemical Society 144 (44), pp. 20400 - 20410 (2022)

Nam, Y.; Montorsi, F.; Keefer, D.; Cavaletto, S. M.; Lee, J. Y.; Nenov, A.; Garavelli, M.; Mukamel, S.: Time-resolved optical pump-resonant x-ray probe spectroscopy of 4-thiouracil: a simulation study. Journal of Chemical Theory and Computation 18 (5), pp. 3075 - 3088 (2022)

Peschel, M. T.; Högner, M.; Buberl, T.; Keefer, D.; de Vivie-Riedle, R.; Pupeza, I.: Sub-optical-cycle light-matter energy transfer in molecular vibrational spectroscopy. Nature Communications 13, 5897 (2022)

Rouxel, J. R.; Keefer, D.; Aleotti, F.; Nenov, A.; Garavelli, M.; Mukamel, S.: Coupled electronic and nuclear motions during azobenzene photoisomerization monitored by ultrafast electron diffraction. Journal of Chemical Theory and Computation 18 (2), pp. 605 - 613 (2022)

Yong, H.; Keefer, D.; Mukamel, S.: Imaging purely nuclear quantum dynamics in molecules by combined x-ray and electron diffraction. Journal of the American Chemical Society 144 (17), pp. 7796 - 7804 (2022)

Yong, H.; Rouxel, J. R.; Keefer, D.; Mukamel, S.: Direct monitoring of conical intersection passage via electronic coherences in twisted x-ray diffraction. Physical Review Letters 129, 103001 (2022)

Cavaletto, S. M.; Keefer, D.; Mukamel, S.: High temporal and spectral resolution of stimulated x-ray raman signals with stochastic free-electron-laser pulses. Physical Review X 11, 011029 (2021)

Cavaletto, S. M.; Keefer, D.; Rouxel, J. R.; Aleotti, F.; Segatta, F.; Garavelli, M.; Mukamel, S.: Unveiling the spatial distribution of molecular coherences at conical intersections by covariance x-ray diffraction signals. PNAS 118 (22), e2105046118 (2021)