Publications: 1001 - 1100
| 1001. | "Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields" Daniel Keefer,J�r�my Rouxel, Flavia Aleotti, Francesco Segatta, Marco Garavelli and Shaul Mukamel Journal of the American Chemical Society 2021, 143, 13806-13815 | |
| 1002. | "Optical-Cavity Manipulation of Conical Intersections and Singlet Fission in Pentacene Dimers" Bing Gu and Shaul Mukamel J. Phys. Chem. Lett. 2021, 12, 8, 2052�2056 | |
| 1003. | "Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy" Yeonsig Nam, Daniel Keefer, Artur Nenov, Irene Conti, Flavia Aleotti, Francesco Segatta, Jin Yong Lee, Marco Garavelli, and Shaul Mukamel J.Phys.Chem.Lett. 2021, 12, 51, 12300-12309 DOI: 10.1021/acs.jpclett.1c03814 | |
| 1004. | "Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited State Mixed Valency" Chelsea Liekhus-Schmaltz, Zachary W. Fox, Amity Andersen, Kasper S. Kjaer, Roberto Alonso-Mori, Elisa Biasin, Julia Carlstad, Matthieu Chollet, James D. Gaynor, James M. Glownia, Kiryong Hong, Thomas Kroll, Jae Hyuk Lee, Benjamin I. Poulter, Marco Reinhard, Dimosthenis Sokaras,Yu Zhang, Gilles Doumy, Anne Marie March, Stephen H. Southworth, Shaul Mukamel, Amy Cordones-Hahn,Robert W. Schoenlein, Niranjan Govind, and Munira Khalil Journal of Physical Chemistry Letters, 2022, 13, 378-386. DOI: 10.1021/acs.jpclett.1c03613 | |
| 1005. | "Polariton Ring Currents and Circular Dichroism of Mg-porphyrin in a Chiral Cavity" Shichao Sun, Bing Gu and Shaul Mukamel Chemical Science, 2022, , 13, 1037 DOI: 10.1039/D1SC04341B | |
| 1006. | "Transient measurement of phononic states with covariance-based stochastic spectroscopy" G. Sparapassi, S. M. Cavaletto, J. Tollerud, A. Montanaro, F. Glerean, A. Marciniak, F. Giusti, S. Mukamel, and D. Fausti Light: Science and Applications, (2022) 11:44 | |
| 1007. | "Photoisomerization transition state manipulation by entangled-two-photon-absorption" Bing Gu, Daniel Keefer, Flavia Aleotti, Artur Nenov, Marco Garavelli, and Shaul Mukamel P PNAS (2021) 118 Article Number : e2116868118 | |
| 1008. | "Wavepacket control and simulation protocol for entangled two-photon-absorption of molecules" Bing Gu and Shaul Mukamel Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.1c00949 | |
| 1009. | "Unique Signatures of Topological Phases in Two-Dimensional THz Spectroscopy" Felix Gerken, Thore Posske, Shaul Mukamel, and Michael Thorwart PRL, 129, 017401 (2022) DOI: 10.1103/PhysRevLett.129.017401 | |
| 1010. | "Ultrafast Valence-Electron Dynamics in Oxazole Monitored by X-Ray Diffraction Following a Stimulated X-Ray Raman Excitation" Haiwang Yong, Stefano M. Cavaletto, Shaul Mukamel JPCL. 2021, 12, 9800-9806 | |
| 1011. | "Imaging Purely-Nuclear Quantum Dynamics in Molecules by Combined X-Ray and Electron Diffraction" Haiwang Yong, Daniel Keefer and Shaul Mukamel J. Am. Chem. Soc. 2022, 144, 17, 7796-7804 | |
| 1013. | "Nonlinear Quantum Interferometric Spectroscopy with Entangled Photon Pairs" Shahaf Asban, Vladimir Y. Chernyak, and Shaul Mukamel J. Chem. Phys.156, 094202 (2022) DOI: 10.1063/5.0079049 | |
| 1014. | "Time-dependent simulation of photocurrent-detected two-dimensional spectroscopy of open systems" Qizhou Chen, Yan Ho Kwok, Weijun Zhou, Guanhua Chen, and Shaul Mukamel J.Chem.Phys. 2021. 155, 194113. DOI: 10.1063/5.0067362 | |
| 1015. | "Electronic coherences in nonadiabatic molecular photophysics revealed by time-resolved photoelectron spectroscopy" Stefano M. Cavaletto, Daniel Keefer, and Shaul Mukamel PNAS, 2022, 119, e2121383119, DOI: 10.1073/pnas.2121383119 | |
| 1016. | "Entangled Two-Photon Absorption with Brownian-Oscillator Fluctuations" Feng Chen and Shaul Mukamel J. Chem. Phys. 156, 074303 (2022) DOI: 10.1063/5.0082500 | |
| 1017. | "Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by X-ray stimulated-Raman signals" Victor M. Freixas, Daniel Keefer, Sergei Tretiak, Sebastian Fernandez-Alberti, and Shaul Mukamel Chemical Science, 2022, 13, 6373 - 6384 | |
| 1018. | "Time-Resolved Optical Pump - Resonant X-ray Probe Spectroscopy of 4-Thiouracil; a Simulation Study" Nam, Yeonsig; Montorsi, Francesco; Keefer, Daniel; Cavaletto, Stefano Michele; Lee, Jin Yong; Nenov, Artur; Garavelli, Marco; Mukamel, Shaul Journal of Chemical Theory and Computation (2022) DOI: 10.1021/acs.jctc.2c00064 | |
| 1021. | "Photon-Correlation Signals in Coupled-Cavity Polaritons Created by Entangled Light" Bing Gu and Shaul Mukamel ACS Photonics 2022, 9, 938-943 | |
| 1022. | "Direct Monitoring of Conical Intersection Passage via Electronic Coherences in Twisted X-Ray Diffraction" Haiwang Yong, J�r�my R. Rouxel, Daniel Keefer, and Shaul Mukamel PRL, 129, 103001 (2022) | |
| 1024. | "Scilight "Entangled photon pairs lead to optimized quantum spectroscopy" Leigh Ann Green, for Nonlinear quantum interferometric spectroscopy with entangled photon pairs by Shahaf Asban, Vladimir Y. Chernyak, and Shaul Mukamel AIP Publishing, DOI: 10.1063/10.0009636 | |
| 1025. | "Sensing ultrashort electronic coherent beating at conical intersections by single-electron pulses" Shahaf Asban, Daniel Keefer, Vladimir Chernyak and Shaul Mukamel PNAS 2022 Vol.119 No.22 e2205510119 | |
| 1027. | "Monitoring Wavepacket Dynamics at Conical Intersections by Entangled Two-Photon Absorption" Feng Chen, Bing Gu, and Shaul Mukamel ACS Photonics (2022) DOI: 10.1021/acsphotonics.2c00255 | |
| 1028. | "Coherent Ring-Current Migration of Mg-Phthalocyanine Probed by Time-resolved X-ray Circular Dichroism" Shichao Sun, Haiwang Yong, Feng Chen, and Shaul Mukamel Chemical Science (2022) DOI: 10.1039/d2sc02768b | |
| 1029. | "Ultrafast X-ray Probes of Elementary Molecular Events" Daniel Keefer, Stefano M. Cavaletto, Jérémy R. Rouxel, Marco Garavelli, Haiwang Yong, Shaul Mukamel Annual Review of Physical Chemistry 2023 74:1, 73-97. https://doi.org/10.1146/annurev-physchem-062322-051532 | |
| 1030. | "Absolute excited state molecular geometries revealed by resonance Raman signals" Giovanni Batignani, Emanuele Mai, Giuseppe Fumero, Shaul Mukamel, and Tullio Scopigno Nat. Commun. 13, 7770 (2022). https://doi.org/10.1038/s41467-022-35099-3 | |
| 1031. | "Ultrafast spectroscopy-microscopy based on single electron coincidence with stimulated photon" Shahaf Asban, Vladimir Y. Chernyak, and Shaul Mukamel In progress | |
| 1032. | "Time-Evolving Chirality Loss in Molecular Photodissociation Monitored by X-ray Circular Dichroism Spectroscopy" Yeonsig Nam, Daeheum Cho, Jeremy R. Rouxel, Daniel Keefer, Bing Gu, Niranjan Govind and Shaul Mukamel J. Am. Chem. Soc. 144, 44, 20400–20410 (2022). https://doi.org/10.1021/jacs.2c08458 | |
| 1033. | "Attosecond Charge Migration in Molecules Imaged by Combined X-Ray and Electron Diffraction" Yong, Haiwang; Sun, Shichao; Gu, Bing; Mukamel, Shaul J. Am. Chem. Soc., 144, 45, 20710–20716 (2022). https://doi.org/10.1021/jacs.2c07997 | |
| 1034. | "Monitoring Vibronic Coherences and Molecular Aromaticity in Photoexcited Cyclooctatetraene with X-ray Probe: A Simulation Study" Yeonsig Nam, Huajing Song, Victor M. Freixas, Daniel Keefer, Sebastian Fernandez-Alberti, Jin Yong Lee, Marco Garavelli, Sergei Tretiak, Shaul Mukamel Chem. Sci., 14, 2971-2982 (2023) https://doi.org/10.1039/D2SC04335A | |
| 1035. | "Electron and ion spectroscopy of Azobenzene in the valence and core shells" Laura Carlini, Francesco Montorsi, Yingxuan Wu, Paola Bolognesi, Rosio Borrego-Varillas, Anna Rita Casavola, Mattea Castrovilli, Jacopo Chiarinelli, Daniele Mocci, Federico Vismarra, Matteo Lucchini, Mauro Nisoli, Shaul Mukamel, Marco Garavelli, Robert Richter, Artur Nenov, and Lorenzo Avaldi J. Chem. Phys. 158, 054201 (2023). https://doi.org/10.1063/5.0133824 | |
| 1036. | "Novel Ultrafast Molecular Imaging Based on the Combination of X-ray and Electron Diffraction" Haiwang Yong, Daniel Keefer, Shaul Mukamel J. Phys. Chem. A, 127, 3, 835-841 (2023); special issue: Xiaoliang Sunney Xie Festschrift. https://doi.org/10.1021/acs.jpca.2c08024 | |
| 1037. | "Attosecond Monitoring of Nonadiabatic Molecular Dynamics by Transient X-ray Transmission Spectroscopy" Stefano M. Cavaletto, Yeonsig Nam, Jérémy R. Rouxel, Daniel Keefer, Haiwang Yong, and Shaul Mukamel Journal of Chemical Theory and Computation. J. Chem. Theory Comput. 2023, 19, 8, 2327–2339. https://doi.org/10.1021/acs.jctc.3c00062 | |
| 1038. | "Photoelectron spectroscopy with entangled photons: enhanced spectro-temporal resolution" Bing Gu, Shichao Sun, Feng Chen, Shaul Mukamel PNAS. https://doi.org/10.1073/pnas.2300541120 | |
| 1039. | "Exceptional points treatment of cavity spectroscopies" Shaul Mukamel, Anqi Li, Michael Galperin J. Chem. Phys. 158, 154106 (2023). https://doi.org/10.1063/5.0142022 | |
| 1039. | "Exceptional points treatment of cavity spectroscopies" Shaul Mukamel, Anqi Li, Michael Galperin J. Chem. Phys. 158, 154106 (2023). https://doi.org/10.1063/5.0142022 | |
| 1040. | "Nonlinear molecular electronic spectroscopy via MCTDH quantum dynamics: from extract to approximate expressions" Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Martha Yaghoubi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov J. Chem. Theory Comput. 2023, 19, 7, 2075–2091. https://doi.org/10.1021/acs.jctc.2c01059 | |
| 1041. | "Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy" M. Chergui, M. Beye, S. Mukamel, C. Svetina, C. Masciovecchio Nat Rev Phys 5, 578–596 (2023). https://doi.org/10.1038/s42254-023-00643-7 | |
| 1043. | "Manipulating Attosecond Charge Migration in Molecules by Optical Cavities" Yonghao Gu, Bing Gu, Shichao Sun, Haiwang Yong, Vladimir Y. Chernyak, Shaul Mukamel J. Am. Chem. Soc. 2023, 145, 27, 14856–14864 https://doi.org/10.1021/jacs.3c03821 | |
| 1044. | "Unraveling Quantum Coherent Dynamics in Photosynthetic Protein Complexes" Hong-Guang Duan, Ajay Jha, Lipeng Chen, Shaul Mukamel, Michael Thorwart, R. J. Dwayne Miller Chemical Reviews (Submitted 2023) | |
| 1045. | "Cavity control of molecular spectroscopy and photophysics" Bing Gu, Yonghao Gu, Vladimir Y. Chernyak, Shaul Mukamel Acc. Chem. Res. 2023, 56, 20, 2753–2762. https://doi.org/10.1021/acs.accounts.3c00280 | |
| 1046. | "A Combined Wave Function and Density Functional Approach for K‑Edge X‑ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions" Soumen Ghosh, Shaul Mukamel, Niranjan Govind The Journal of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.3c00611 | |
| 1047. | "Time-resolved enantiomer-exchange probed by orbital angular momentum of X-ray light" Xiang Jiang, Yeonsig Nam, Jérémy R. Rouxel, Haiwang Yong, Shaul Mukamel Chem.Sci., 2023, 14, 11067. DOI:10.1039/d3sc02807k | |
| 1048. | "Qubit entanglement generated by classical light driving an optical cavity" Seongjin Ahn and Andrey S. Moskalenko, Vladimir Y. Chernyak, Shaul Mukamel arXiv:2306.10436. https://doi.org/10.48550/arXiv.2306.10436 | |
| 1049. | "Polariton chemistry; lessons from multiphoton laser chemistry" Shaul Mukamel In Preparation | |
| 1050. | "NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations" Victor M. Freixas, Walter Malone, Xinyang Li, Huajing Song, Hassiel Negrin-Yuvero, Royle Pérez-Castillo, Alexander White, Tammie R. Gibson, Dmitry V. Makhov, Dmitrii V. Shalashilin, Yu Zhang, Nikita Fedik, Maksim Kulichenko, Richard Messerly, Luke Nambi Mohanam, Sahar Sharifzadeh, Adolfo Bastida, Shaul Mukamel, Sebastian Fernandez-Alberti, Sergei Tretiak J. Chem. Theory Comput. 2023, 19, 16, 5356-5368 https://doi.org/10.1021/acs.jctc.3c00583 | |
| 1051. | "X-ray and Optical circular dichroism as local and global ultrafast chiral probes of [12]helicene racemization" Victor M. Freixas, Jeremy R. Rouxel, Yeonsig Nam, Sergei Tretiak, Niranjan Govind, and Shaul Mukamel J. Am. Chem. Soc., 2023, 145, 38, 21012-21019. https://doi.org/10.1021/jacs.3c07032 | |
| 1052. | "Quantum Interferometric Pathway Selectivity in Difference-Frequency-Generation Spectroscopy" Yadalam, Hari Kumar; Kizmann, Matthias; Rouxel, Jeremy; Nam, Yeonsig; Chernyak, Vladimir; Mukamel, Shaul J. Phys. Chem. Lett. 2023, 14, 48, 10803–10809. https://doi.org/10.1021/acs.jpclett.3c02341 | |
| 1053. | "Intraband Exciton Transitions in Photosynthetic Complexes Revealed by Novel Five-Wave-Mixing Spectroscopy" Kizmann, Matthias; Yadalam, Hari Kumar; Chernyak, Vladimir; Mukamel, Shaul J. Chem. Theory Comput. 2024, 20, 1, 280–289. https://doi.org/10.1021/acs.jctc.3c00919 | |
| 1054. | "Tribute to Xiaoliang Sunney Xie" Min, Wei; Mukamel, Shaul; Gao, YiQin J. Phys. Chem. B 2023, 127, 37, 7797–7799. https://doi.org/10.1021/acs.jpcb.3c05596 | |
| 1055. | "Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol" Francesco Segatta, Daniel Aranda, Flavia Aleotti, Francesco Montorsi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, and Artur Nenov Journal of Chemical Theory and Computation 2024 20 (1), 307-322 DOI: 10.1021/acs.jctc.3c00953 | |
| 1056. | "On the temperature dependence of spontaneous versus coherent Raman signals" Scopigno, Tullio; Batignani, Giovanni; Mai, Emanuele; Martinati, Miles; Mukamel, Shaul Chemical Science (submitted 2023) | |
| 1057. | "Self-heterodyne Diffractive Imaging of Ultrafast Electron Dynamics Monitored by Single-Electron Pulses" Shichao Sun, Haiwang Yong, Vladimir Y. Chernyak, Shaul Mukamel Physical Review Letters (under review 2024) | |
| 1058. | "Two-qubit-entanglement in matter created by entangled-photon pairs: a perturbative study" Upendra Harbola, Luca Candelori, John R. Klein, Vladimir Y. Chernyak, Shaul Mukamel Physical Review Letters (submitted 2023) | |
| 1059. | "Chemical Bond Reorganization in Intramolecular Proton Transfer Revealed by Ultrafast X-ray Photoelectron Spectroscopy" Yonghao Gu, Haiwang Yong, Bing Gu, Shaul Mukamel PNAS (submitted 2023) | |
| 1060. | "Water solvent reorganization upon ultrafast resonant stimulated X-ray Raman excitation of a metalloporphyrin dimer" Dodia, Mayank, Rouxel, Jeremy, Cho, Daeheum, Zhang, Yu, Keefer, Daniel, Bonn, Mischa, Nagata, Yuki, Mukamel, Shaul JCTC (submitted 2024) | |
| 1061. | "Ionization Pathway Interference in Photoionization Time Delays in Molecules" Deep Mukherjee, Upendra Harbola, Shaul Mukamel The Journal of Physical Chemistry Letters 0, 15. DOI: 10.1021/acs.jpclett.4c00129 | |
| 1062. | "Impulsive stimulated Raman spectroscopy with frequency correlated entangled photons" Matthias Kizmann and Shaul Mukamel Optica Quantum (submitted 2024) | |
| 1063. | "Coherent ultrafast stimulated x-ray Raman spectroscopy of dissipative conical intersections" Florian Otterpohl, Daniel Keefer, Shaul Mukamel, Michael Thorwart Physical Review Letters (submitted 2024) | |
| 1064. | "Transient-Absorption Spectroscopy of Dendrimers via Nonadiabatic Excited-State Dynamics Simulations" Pérez-Castillo, Royle; Freixas, Victor; Mukamel, Shaul; Martinez-Mesa, Aliezer; Uranga Pina, Llinersy; Tretiak, Sergei; Gelin, Maxim; Fernandez-Alberti, Sebastian JACS (submitted 2024) | |
| 1065. | "Manipulating ultrafast even-order nonlinear chiral responses of L-tryptophan by polarization pulse shaping" Jérémy R. Rouxel, Yeonsig Nam, Vladimir Y. Chernyak, Shaul Mukamel PNAS (submitted 2024) | |
| 1066. | "Ultrafast photochemistry and electron-diffraction spectra in n→(3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level" V. K. Jaiswal, F. Montorsi, F. Aleotti, F. Segatta, Daniel Keefer, Shaul Mukamel, A. Nenov, I. Conti, M. Garavelli JCP (submitted 2024) | |
| 1067. | "Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism" Shichao Sun, Bing Gu, Hang Hu, Lixin Lu, Diandong Tang, Xiaosong Li, Shaul Mukamel JACS (submitted 2024) | |
| 1068. | "WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation" Loreti, Alessandro; Freixas, Victor; Avagliano, Davide; Segatta, Francesco; Song, Huajing; Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur Journal of Chemical Theory and Computation (submitted 2024) | |
| 1069. | "Unravelling dynamic protein structures by two-dimensional infrared spectra with a pre-trained machine learning model" Fan Wua, Yan Huang, Guokun Yang, Sheng Ye, Shaul Mukamel, Jun Jiang PNAS (submitted 2024) | |
| 1070. | "Ultrafast Four-Wave-Mixing Spectroscopy with two vacuum fields and Coincidence-Double-Heterodyne detection" Shaul Mukamel Optica Quantum (submitted 2024) | |
| 1071. | "Attosecond Impulsive Stimulated X-ray Raman Scattering in Liquid Water" Oliver Alexander, Felix Egun, Laura Rego, Ana Martinez, Douglas Garratt, Gustavo Cardenes, Juan Nogueira, Jacob Lee, Kaixiang Zhao, Ru-Pan Wang, David Ayuso, Jonathan Barnard, Sandra Beauvarlet, Philip Bucksbaum, David Cesar, Ryan Coffee, Joseph Duris, Leszek Frasinski, Nils Huse, Katarzyna Kowalczyk, Kirk Larsen, Mary Matthews, Shaul Mukamel, Jordan O'Neal, Thomas Penfold, Emily Thierstein, John Tisch, James Turner, Joshua Vogwell, Taran Driver, Nora Berrah, Ming-Fu Lin, Georgi Dakovski, Stefan Moeller, James Cryan, Agostino Marinelli, Antonio Picon, Jon Marangos Science Advances (under review 2024) |