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Publications: 901 - 1000

901."Multidimensional Nonlinear X-ray Spectroscopy of Molecules"
Shaul Mukamel.
J. Phys. B: At. Mol. Opt. Phys. 51 (2018) 032003 (45pp) Roadmap of Ultrafast X-ray Atomic and Molecular Physics, Linda Young, Editor. .
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902."Linear and nonlinear frequency- and time-domain spectroscopy with multiple frequency combs"
Kochise Bennett, Jeremy Rouxel, and Shaul Mukamel.
JCP, 147, 094304 (2017) .
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903."Utilizing Microcavities to Suppress Third-Order Cascades in Fifth-Order Raman Spectra"
Zhang, Zhedong; Bennett, Kochise; Chernyak, Vladimir; Mukamel, Shaul.
Journal of Physical Chemistry Letters (2017), 8, 3387-3391.
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904."Using coherence to enhance function in chemical and biophysical systems"
Gregory D. Scholes, Graham R. Fleming, Lin X. Chen, Alán Aspuru-Guzik,Andreas Buchleitner, David F. Coker, Gregory S. Engel, Rienk van Grondelle,Akihito Ishizaki, David M. Jonas, Jeff S. Lundeen, James K. McCusker, Shaul Mukamel, Jennifer P. Ogilvie, Alexandra Olaya-Castro, Mark A. Ratner, Frank C. Spano, K. Birgitta Whaley & Xiaoyang Zhu.
Nature, 543,647–656 (30 March 2017).
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904."Multiscale wavelet decomposition of time resolved x-ray diffraction signals in cyclohexadiene"
Vladimir Osipov, Markus Kowalewski, and Shaul Mukamel.
PNAS(2018)DOI/10.10173/pnas.1811983115.
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905."A quantum chemical interpretation of two-dimensional electronic spectroscopy of Light-Harvesting complexes"
Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taioli, Simone; Garavelli, Marco; Mennucci, Benedetta.
J. Am. Chem. Soc., (2017), 139 (22), 7558-7567.
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906."X-Ray sum frequency generation; direct imaging of ultrafast electron dynamics"
Jérémy R. Rouxel, Markus Kowalewski, Kochise Bennett, Shaul Mukamel.
Phys. Rev. Lett. 120, 243902 (2018) .
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907."Attosecond X-ray diffraction triggered by core or valence ionization of a dipeptide"
Cho, Daeheum; Rouxel, Jeremy; Kowalewski, Markus; Lee, Jin Yong; Mukamel, Shaul.
Journal of Chemical Theory and Computation. 14,0329-338 (2018).
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908."Monitoring molecular nonadiabatic dynamics with femtosecond X-ray diffraction"
Kochise Bennett, Markus Kowalewski, Jérémy R. Rouxel, and Shaul Mukamel.
PNAS 115, 6538-6547 (2018) DOI: 10.1073/pnas.1805335115
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909."Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates"
Javier Segarra-Martí, Vishal K. Jaiswal, Ana Julieta Pepino, Angelo Giussani, Artur Nenov, Shaul Mukamel, Marco Garavelli, and Ivan Rivalta.
Royal Society of Chemistry. Faraday Discussions (2017) DOI: 10.1039/c7fd00201g.
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910."Impulsive UV-pump/x-ray probe simulation of vibrational dynamics in glycine"
Riccardo Mincigrucci; Markus Kowalewski; Jérémy Rouxel; Filippo Bencivenga; Shaul Mukamel and Claudio Masciovecchio.
Scientific Reports, 8, 15466 (2018) DOI:10.1038/s41598-018-33607-4
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912."UV-light Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene"
Artur Nenov, Rocio Borrego-Varillas, Aurelio Oriana, Lucia Ganzer, Francesco Segatta, Irene Conti, Javier Segarra-Marti, Junko Omachi, Maurizio Dapor, Simone Taioli, Cristian Manzoni, Shaul Mukamel, Giulio Cerullo, Marco Garavelli.
Journal of Physical Chemistry Letters, 9, 1534-1541 (2018)
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913."Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: from Infrared to X-ray Wavelengths"
Ross, Matthew; Andersen, Amity; Fox, Zachary; Zhang, Yu; Hong, Kiryong; Lee, Jae-Hyuk; Cordones, Amy; March, Anne; Doumy, Gilles; Southworth, Stephen; Marcus, Matthew; Schoenlein, Robert; Mukamel, Shaul; Govind, Niranjan; Khalil, Munira
. The Journal of Physical Chemistry B, 122, 5075-5086 (2018)
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914."Phase Cycling RT-TDDFT Simulation Protocol for Nonlinear XUV and X-ray Molecular Spectroscopy"
Daeheum Cho, Jérémy R. Rouxel, Markus Kowalewski, Prasoon, Saurabh, Jin Yong Lee, and Shaul Mukamel
JPCL, 9, 1072-1078 (2018)
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915."X-ray Raman optical activity of chiral molecules"
Jérémy R. Rouxel, Yu Zhang, and Shaul Mukamel
Chemical Science (2018) DOI: 10.1039/c8sc04120b
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916."Diffraction-detected sum frequency generation; novel ultrafast x-ray probe of molecular dynamics"
Jérémy R. Rouxel, Markus Kowalewski, and Shaul Mukamel
JPCL, 9, 3392-3396 (2018)
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919."Electrical double layer probed by surface-specific vibrational technique"
Yuki Nagata, and Shaul Mukamel
Chem, 4, 1481-1491 (2018)
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920."Towards accurate simulation of two-dimensional electronic spectroscopy"
Javier Segarra-Marti, Shaul Mukamel, Marco Garavelli, Artur Nenov, and Ivan Rivalta
Topics in Current Chemsitry, 376, (2018)
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921."REPLY TO STIRNEMANN ET AL.: Frame retardation is the key reason behind the general slowdown of water reorientation dynamics in concentrated electrolytes"
Zhang, Qiang, Wu, TianMin , Chen, Chen, Mukamel, Shaul, and Zhuang, Wei
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES, 115, E4955-E4956 (2018)
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922."The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations"
Javier Segarra-Marti, Ana J. Pepino, Artur Nenov, Shaul Mukamel, Marco Garavelli, and Ivan Rivalta
Theoretical Chemistry Accounts, 137, 47 (2018)
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923."Quantum phase-sensitive diffraction and imagingusing entangled photons"
Shahaf Asban, Konstantin E. Dorfman, and, Shaul Mukamel.
PNAS (2019) https://doi.org/10.1073/pnas.1904839116
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924."Imaging of transition charge densities involving carbon core excitations in fluoroethane (CH3-CH2F) by X-ray sum-frequency generation"
Daeheum Cho, Jérémy R. Rouxel, Markus Kowalewski, Jin Yong Lee, and Shaul Mukamel.
Philosophical Transactions A 377: 20170470 (2019)
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925."Femtosecond covariance spectroscopy"
J. Tollerud, G. Sparapassi, A. Montanaro, S. Asban, F. Glerean, F. Giusti, A. Marciniak, G. Kourousias, F. Billè, F. Cilento, S. Mukamel, D. Fausti
PNAS doi.org/10.1073/pnas.1821048116(2019)
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926."Imaging electron-density flucutations by multidimensional X-ray photon-coincidence diffraction"
Lyuzhou Ye, Jérémy R. Rouxel, Daeheum Cho, and Shaul Mukamel.
PNAS (2018)
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927."Genuine dynamics vs cross phase modulation artefacts in Femtosecond Stimulated Raman Spectroscopy"
Batignani, Giovanni; Fumero, Giuseppe; Pontecorvo, Emanuele; Ferrante, Carino; Mukamel, Shaul; Scopigno, Tullio.
ACS Photonics. 2019, 6, 2, 492-500
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928."A Neural Network Protocol for Electronic excitations of N-Methylacetamide"
Sheng Ye; Zhang,Wei Hu, Xin Li, Jinxiao Zhang, Kai Zhong, Guozhen Zhang, Yi Luo, Shaul Mukamel, and Jun Jiang.
PNAS (2019) 116, 11612-11617
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930."Monitoring Spontaneous Charge-Density Fluctuations by Single-Molecule Diffraction of Quantum Light"
Dorfman, Konstantin; Asban, Shahaf; Ye, Lyuzhou; Rouxel, Jeremy; Cho, Daeheum; Mukamel, Shaul.
Journal of Physical Chemistry Letters, 10, 768-773 (2019) DOI: 10.1021/acs.jpclett.9b00071
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931."Roadmap on Quantum Light Spectroscopy"
Shaul Mukamel, Matthias Freyberger, Wolfgang Schleich, Marco Bellini, Alessandro Zavatta, Gerd Leuchs, Christine Silberhorn , Robert W Boyd , Luis Lorenzo Sánchez-Soto, André Stefanov, Marco Barbieri , Anna Paterova, Leonid Krivitsky, Sharon Shwartz, Kenji Tamasaku, Konstantin Dorfman, Frank Schlawin, Vahid Sandoghdar, Michael Raymer, Andrew Marcus, Oleg Varnavski, Theodore Goodson III, Zhi-Yuan Zhou, Bao-Sen Shi , Shahaf Asban , Marlan Scully, Girish Agarwal , Tao Peng, Alexei V Sokolov, Zhe-Dong Zhang, M Suhail Zubairy , Ivan A Vartanyants, Elena del Valle and Fabrice Laussy.
2020 J. Phys. B: At. Mol. Opt. Phys.53, 072002
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932."Modelling the ultrafast response of two-magnon Raman excitations in antiferromagnets on the femtosecond timescale"
G. Batignani, E. Pontecorvo, D. Bossini, C. Ferrante, G. Fumero, G. Cerullo, S. Mukamel and T. Scopigno.
Annalen der Physik, 1900439 (2019)
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933."Machine Learning Protocol for Surface Enhanced Raman Spectroscopy"
Wei Hu , Sheng Ye, Yujin Zhang, Tianduo Li, Guozhen Zhang, Yi Luo, Shaul Mukamel, Jun Jiang.
Journal of Physical Chemical Letters (2019) 10, 6026-6031. doi: 10.1021/acs.jpclett.9b02517
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934."Frequency-, time-, and wavevector-resolved ultrafast incoherent diffraction of noisy X-ray pulses"
Shahaf Asban, Daeheum Cho, and Shaul Mukamel
J.Phys.Chem.Lett, 2019,10, 5805-5814
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935."Probing molecular chirality by orbital angular momentum carrying X-ray pulses"
Lyuzhou Ye, Jeremy R. Rouxel, Shahaf Asban, Benedikt Rösner, and Shaul Mukamel.
Journal of Chemical Theory and Computation (JCTC) (2019)DOI: 10.1021/acs.jctc.9b00346
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936."Time and frequency resolved transient-absorption and stimulated-Ramen signals of stochastic light"
Vladimir Al. Osipov, Shahaf Asban, and Shaul Mukamel.
JCP Special Issue on “Ultrafast Spectroscopy and Diffraction from XUV to X-ray”. 151, 044113 (2019) DOI: 10.1063/1.5109258
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937."Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections"
Francesco Segatta, Artur Nenov, Silvia Orlandi, Alberto Arcioni, Shaul Mukamel, and Marco Garavelli.
Faraday Discussion-Quantum effects in complex systems. 2020,Volume 221, 245-264
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938."Polariton-assisted Cooperativity of Molecules in Microcavities Monitored by Two-dimensional Infrared Spectroscopy"
Zhedong Zhang, Kai Wang, Zhenhuan Yi, Muhammad Zubairy, Marlan Scully, and Shaul Mukamel.
Journal of Physical Chemistry Letters (2019) 10,4448-4454 DOI: 10.1021/acs.jpclett.9b00979
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939."Comment on Quantum Interference between Light Sources Separated by 150 Million Kilometers Deng et al."
Shaul Mukamel
arXiv:2001.02376 (2020)
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940."Transient X-ray absorption spectral fingerprints of the S1 dark state in uracil"
Hua, Weijie; Mukamel, Shaul; Luo, Yi.
J. Phys.Chem Lett (2019), 10, 7172-7178
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941."Scattering-based geometric shaping of photon-photon interactions"
Shahaf Asban and Shaul Mukamel.
Physical Review Letters, 123, 260502 (2019) DOI: 10.1103/PhysRevLett.123.260502
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942."Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur Dimers"
Daeheum Cho, Jérémy R. Rouxel, Shaul Mukamel, Garnet Kin-Lic Chan, and Zhendong Li.
J. Phys.Chem Lett , 10, 6664-6671(2019) doi: 10.1021/acs.jpclett.9b02414
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943."Resonant x-ray sum-frequency-generation spectroscopy of K-edges in acetyl fluoride"
Adam Bruner, Stefano M. Cavaletto, Niranjan Govind, and Shaul Mukamel.
JCTC, 15, 6832-6839 (2019)
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944."Signatures of through-space charge transfer in two-photon absorption of paracyclophane derivatives"
Abbas Salimi, Daeheum Cho, Jin Yong Lee, Sunwoo Kang, and Shaul Mukamel.
Bulletin of the Korean Chemical Society (BKCS) 40,1076-1086. (2019) doi: 10.1002/bkcs.11874
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945."X-ray linear and nonlinear spectroscopy of the ESCA molecule"
Artur Nenov, Francesco Segatta, Adam Bruner, Shaul Mukamel, and Marco Garavelli.
Journal of Chemical Physics, 151, 114110 (2019) doi: 10.1063/1.5116699
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946."Two-dimensional UV spectroscopy: a new insight into the structure and dynamics of biomolecules"
R. Borrego-Varillas, A. Nenov, L. Ganzer, A. Oriana, C. Manzon, A. Tolomelli, I. Rivalta, S. Mukamel, M. Garavelli and G. Cerullo.
Chemical Science, 10, 9907-9921 (2019)
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947."STM Imaging of electron migration in real space and time: a simulation study"
YanHo Kwok, GuanHua Chen, and Shaul Mukamel.
Nano Letters, 19, 7006-7012 (2019) doi: 10.1021/acs.nanolett.9b02389
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948."Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation"
Fujie Tang, Tatsuhiko Ohto, Shumei Sun, Jérémy R. Rouxel, Sho Imoto, Ellen H. G. Backus, Shaul Mukamel, Mischa Bonn, and Yuki Nagata.
Chemical Reviews (2020) DOI: 10.1021/acs.chemrev.9b00512
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949."Flux-Conserving Diagrammatic Formulation of Optical Spectroscopy of Open Quantum Systems"
Shaul Mukamel and Michael Galperin.
Journal of Physical Chemistry C, 123, 29015-29023 (2019)doi: 10.1021/acs.jpcc.9b08635
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950."Aggregation-Induced Intersystem Crossing: Rational Design for Phosphorescence Manipulation"
Jinxiao Zhang, Shaul Mukamel, and Jun Jiang.
J. Phys. Chem. B 2020, 124, 11, 2238-2244
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951."Stimulated X-ray Resonant Raman Imaging of Conical Intersections"
Daeheum Cho and Shaul Mukamel.
J.Phys.Chem. Lett , 2020, 11, 33-39
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952."Manipulating nonadiabatic conical intersection dynamics by optical cavities"
Bing Gu and Shaul Mukamel.
Chemical Science. DOI: 10.1039/C9SC04992D Chem. Sci., 2020, 11, 1290-1298
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953."First Principles Non-Adiabatic Excited-State Molecular Dynamics in NWChem"
Song, Huajing; Fischer, Sean; Zhang, Yu; Cramer, Christopher; Mukamel, Shaul; Govind, Niranjan; Tretiak, Sergei
Journal of Chemical Theory and Computation.2020 Oct 13;16(10):6418-6427. DOI:10.1021/acs.jctc.0c00295
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954."Hong-Ou-Mandel interferometry and spectroscopy using entangled photons"
Konstantin E. Dorfman, Shahaf Asban, Bing Gu and Shaul Mukamel
Communications Physics, 4:49 (2021)
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956."Two-dimensional impulsively stimulated Raman spectroscopy of molecular excited states"
Giuseppe Fumero, Christoph Schnedermann, Giovanni Batignani, Carino Ferrante, Shaul Mukamel, Philipp Kukura, and Tullio Scopigno.
Phys Rev X, 10, 011051 (2020)
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957."Interferometric two-photon absorption spectroscopy with three entangled photons"
Lyuzhou Ye and Shaul Mukamel
Appl. Phys. Lett. 116, 174003 (2020)
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958."Cooperative conical intersection dynamics of two pyrazine molecules strongly coupled to an optical cavity"
Bing Gu and Shaul Mukamel
Journal of Physical Chemistry Letters 2020, 11, 14, 5555-5562
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959."Energy, particle and photon fluxes in molecular junctions"
Hari Kumar Yadalam, Shaul Mukamel, and Upendra Harbola.
J. Phys. Chem. Lett. 2020, 11, 5, 1762-1766
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960."The photo-ionization time in p-conjugated molecular systems"
Deep Mukherjee, Shaul Mukamel, and Upendra Harbola
J. Phys. Chem. A 2020, 124, 28, 5770–5774
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961."Element-and enantiomer-selective visualization of ibuprofen dimer vibrations"
R. Mincigrucci,, J. R. Rouxel, B. Rossi, E. Principi, C. Bottari, S. Catalini, D.Fainozzi, L. Foglia, A. Simoncig1, A. Matruglio, G. Kurdi, F. Capotondi, E. Pedersoli, A. Perucchi, F. Piccirilli, A. Gessini, M. Giarola, G. Mariott, S. Mukamel, F. Bencivenga, M. Chergui, C. Masciovecchio
Nature arXiv:2010.04860[cond-mat.soft]
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962."Multidimensional four-wave-mixing spectroscopy with squeezed light"
Rouxel, Jeremy; Rajabi, Ahmadreza; Mukamel, Shaul.
J. Chem. Theory Comput. 2020, 16, 9, 5784–5791
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963."Visualizing Conical Intersection Passages via Vibronic Coherence Maps Generated by Stimulated X-Ray Raman Signals"
Daniel Keefer, Thomas Schnappinger, Regina de Vivie-Riedle and Shaul Mukamel
PNAS 2020,arxiv.org/abs/2008.06191
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964."Chiral Four-Wave-Mixing signals with circularly-polarized X ray pulses"
Rouxel, Jeremy; Rajabi, Ahmadreza; Mukamel, Shaul
J. Chem. Theory Comput. 2020, 16, 9, 5784–5791
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965."A Machine-Learning Protocol for Ultraviolet Protein-backbone Absorption Spectroscopy under Environmental Fluctuations"
Zhang, Jinxiao; Ye, Sheng ; Zhong, Kai; Zhang, Yaolong; Chong, yuanyuan; Zhao, Luyuan; Zhou, Huiting; Guo, Sibei; Zhang, Guozhen; Jiang, Bin; Mukamel, Shaul; Jiang, Jun
J. Phys. Chem. B 2021, 125, 23, 6171–6178
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966."A Machine Learning Protocol for Predicting Protein Infrared Spectra"
Sheng Ye , Kai Zhong , Jinxiao Zhang , Wei Hu , Jonathan Hirst , Guozhen Zhang , Shaul Mukamel, Jun Jiang
Journal of the American Chemical Society 142, 19071-19077 (2020)
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967."Ultrafast Spectroscopy and Diffraction from XUV to X-ray"
Munira Khalil and Shaul Mukamel
J. Chem. Phys. 153, 100401 (2020) DOI: 10.1063/5.0026054
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968."Manipulating two-photon-absorption of cavity-polaritons by entangled light"
Bing Gu and Shaul Mukamel
Journal of Physical Chemistry Letters 2020, 11, 19, 8177–8182
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969."Direct observation of coherent femtosecond solvent reorganization coupled to intramolecular electron transfer"
Zachary Fox , Dr. Amity Andersen , Kathryn Ledbetter , Kasper Skov Kjær , Roberto Alonso-Mori , Julia Carlstad , Matthieu Chollet , James Gaynor , James Glownia , Kiryong Hong , Thomas Kroll , Jae Hyuk Lee , Chelsea Liekhus-Schmaltz , Marco Reinhard , Dimosthenis Sokaras , Yu Zhang , Gilles Doumy , Anne Marie March , S. Southworth , Shaul Mukamel , Kelly Gaffney , Robert Schoenlein , Niranjan Govind , Amy Cordones , Munira Khalil
Nature Chemistry 2021. DOI: 10.1038/s41557-020-00629-3
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970."High temporal and spectral resolution of stimulated x-ray Raman signals with stochastic free-electron-laser pulses"
Stefano M. Cavaletto, Daniel Keefer, and Shaul Mukamel
Phys. Rev. X 11, 011029 (2021) DOI: 10.1103/PhysRevX.11.011029
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971."Manipulating core-excitations in molecules by X-ray cavities"
Bing Gu, Artur Nenov, Francesco Segatta, Marco Garavelli, and Shaul Mukamel
Physical Review Letters 126, 053201 4 February 2021 DOI: 10.1103/PhysRevLett.126.053201
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972."Monitoring Molecular Vibronic Coherences in a Bichromatic Molecule by Ultrafast X-Ray Spectroscopy"
Daniel Keefer, Victor M. Freixas, Huajing Song, Sergei Tretiak, Sebastian Fernandez-Alberti, and Shaul Mukamel
Chemical Science, 2021, DOI: 10.1039/D0SC06328B
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973."Stimulated X-ray Resonant Raman Spectroscopy of Conical Intersections in Thiophenol"
Daeheum Cho, Jeremy Rouxel and Shaul Mukamel
J. Phys. Chem. Lett., 2020, 11, 4292–4297
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974."Probing delocalized current densities in selenophene by resonant x-ray sum-frequency generation"
Stefano Michele Cavaletto and Shaul Mukamel
Journal of Chemical Theory and Computation. 2020 DOI: 10.1002/jcc.26485
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975."Monitoring Aromatic Ring-Currents in Mg-porphyrin by Time-Resolved Circular Dichroism"
Yeonsig Nam, Jérémy R. Rouxel, Jin Yong Lee, and Shaul Mukamel
Physical Chemistry Chemical Physics, 2020, 22, 26605
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976."Multidimensional four-wave mixing signals detected by quantum squeezed-light"
Konstantin Dorfman, Shengshuai Liu, Yanbo Lou, Tianxiang Wei, Jietai Jing, Frank Schlwin, and Shaul Mukamel
PNAS (2021) 118, e2105601118. DOI: 10.1073/pnas.2105601118
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977."iSPECTRON: a simulation interface for linear and non-linear spectra with ab-initio quantum chemistry software"
Francesco Segatta, Artur Nenov, Daniel R. Nascimento, Nirajan Govind, Shaul Mukamel and Marco Garavelli
Journal of Computational Chemistry. 2021; 1-16 DOI: 10.1021/acs.jctc.0c00886
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978."Signatures of electronic and nuclear coherences in ultrafast molecular X-ray and electron diffraction"
Jérémy Rouxel, Daniel Keefer, and Shaul Mukamel
Structural Dynamics 8, 014101 (2021) DOI: 10.1063/4.0000043
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979."Imaging Conical Intersection Dynamics During Azobenzene Photoisomerization by Ultrafast X-ray Diffraction"
Daniel Keefer, Flavia Aleotti, Jeremy Rouxel, Francesco Segatta, Bing Gu, Artur Nenov, Marco Garavelli, and Shaul Mukamel
PNAS January 19, 2021 118 (3) e2022037118
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980."Quantum susceptibilities in time-domain sampling of electric field fluctuations"
Mattias Kizmann, Andrey S. Moskalenko, Alfred Leitenstorfer, Guido Burkard, and Shaul Mukamel
Laser & Photonics Reviews (2021) DOI:10.1002/lpor.202100423
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981."Modulating Charge Separation and Intersystem Crossing in Donor-Switch-Acceptor Systems: A Computational Study"
Yuanyuan Chong, Xiaolong Zhang, Biao Chen, Ran Liu, Ziye Wu, Guoqing Zhang, Jun Jiang, Shaul Mukamel, Guozhen Zhang
Yoshitaka Tanimura Festschrift in J. Phys. Chem. A 2021, 125, 15, 3088–3094
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982."Enhancing circular dichroism signals with vector beams"
Lyuzhou Ye, Longqing Yang, Xiao Zheng, and Shaul Mukamel
Phys.Rev.Lett. 126, 123001 (2021)
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983."Heisenberg-Uncertainty of Spatially-Gated Electromagnetic Fields"
Vladimir Y. Chernyak and Shaul Mukamel
J. Chem. Phys. 154, 174110 (2021)
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984."Machine Learning Recognition of Protein Secondary Structures via Two-Dimensional Spectroscopic Descriptors"
Hao Ren, Qian Zhang, Zhengjie Wang, Guozhen Zhang, Hongzhang Liu, Wenyue Guo, Shaul, Mukamel, Jun Jiang
PNAS(2022) 119 (18) e2202713119
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985."Selective Enhancement of Spectroscopic Features by Quantum Optimal Control"
Daniel Keefer and Shaul Mukamel
PRL 126,163202 (2021)
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986."An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem"
Song, Huajing; Freixas, Victor; Fernandez-Alberti, Sebastian; White, Alexander; Zhang, Yu; Mukamel, Shaul; Govind, Niranjan; Tretiak, Sergei
J. Chem. Theory Comput. 2021, 17, 6, 3629–3643
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987."Interferometric-Spectroscopy with Quantum-Light; Revealing Out-of-Time-Ordering Correlators"
Shahaf Asban, Konstantin E. Dorfman, and Shaul Mukamel
Special issue of JCP on Quantum Light. (Vol.154, Issue 21) 2021. DOI: 10.1063/5.0047776
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988."Investigations of Molecular Optical Properties Using Quantum Light and Hong-Ou-Mandel Interferometry"
Eshun, Audrey ; Gu, Bing; Varnavski, Oleg; Asban, Shahaf; Dorfman, Konstantin ; Mukamel, Shaul; Goodson III, Theodore
J. Am. Chem. Soc. 2021, 143, 24, 9070–9081
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989."Unveiling the spatial distribution of molecular coherences at conical intersections by covariance x-ray diffraction signals"
Stefano M. Cavaletto, Daniel Keefer, Jérémy R. Rouxel, Flavia Aleotti, Francesco Segatta, Marco Garavelli, and Shaul Mukamel
PNAS 2021 Vol. 118 No. 22 e2105046118
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990."Excited-state energy surfaces in molecules revealed by impulsive stimulated Raman excitation profiles"
Batignani, Giovanni; Sansone, Carlotta; Ferrante, Carino; Fumero, Giuseppe; Mukamel, Shaul; Scopigno, Tullio
Journal of Physical Chemistry Letters. 2021, 12, 9239-9247. DOI: 10.1021/acs.jpclett.1c0220
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991."Manipulating valence and core electronic excitations of a transition-metal complex using UV/Vis and X-ray cavities"
Bing Gu, Stefano M. Cavaletto, Daniel R. Nascimento, Munira Khalil, Niranjan Govind, and Shaul Mukamel
Chemical Science, 2021, 12, 8088 – 8095
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992."A Machine-Learning Protocol for Ultraviolet Protein-backbone Absorption Spectroscopy under Environmental Fluctuations"
Zhang, Jinxiao;Ye, Sheng ;Zhong, Kai;Zhang, Yaolong;Chong, Yuanyuan;Zhao, Luyuan;Zhou, Huiting;Guo, Sibei;Zhang, Guozhen;Jiang, Bin;Mukamel, Shaul ;Jiang, Jun
The Journal of Physical Chemistry's VirtuSpecial Issue: 125 Years of the Journal of Physical Chemistry. J. Phys. Chem. B 2021, 125, 23, 6171–6178
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993."Coupled electronic and nuclear motions during azobenzene photoisomerization monitored by ultrafast electron diffraction"
Je´re´my R. Rouxel, Daniel Keefer, Flavia Aleotti, Artur Nenov, Marco Garavelli, and Shaul Mukamel
JCTC. DOI: 10.1021/acs.jctc.1c00792
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994."Resonant Stimulated X-ray Raman Spectroscopy of Mixed-Valence Manganese Complexes"
Stefano M. Cavaletto, Daniel R. Nascimento, Yu Zhang, Niranjan Govind, and Shaul Mukamel
J. Phys. Chem. Lett. 2021; 12:5925-5931. Doi: 10.1021/acs.jpclett.1c01190 J Phys Chem Lett
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995."Non-adiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene"
Song, Huajing; Nam, Yeonsig; Keefer, Daniel; Garavelli, Marco; Mukamel, Shaul; Tretiak, Sergei
Journal of Physical Chemistry Letters (2021) 12, 5716-5722. DOI: 10.1021/acs.jpclett.1c01397
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996."Distinguishability and “which pathway” information in multidimensional interferometric spectroscopy with a single entangled photon-pair"
Shahaf Asban and Shaul Mukamel
Science Advances. 2021; 7: eabj4566
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997."Carrier-Envelope-Phase Modulated Currents in Scanning Tunneling Microscopy"
Hu, Ziyang; Kwok, YanHo; Chen, GuanHua; Mukamel, Shaul
Nano Letters (2021) 21, 6569-6575. DOI: 10.1021/acs.nanolett.1c01900
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998."Vibrational Hyper-Raman molecular spectroscopy with entangled photons"
Feng Chen and Shaul Mukamel
ACS Photonics DOI: 10.1021/acsphotonics.1c00777
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999."Soft X-ray spectroscopy simulations with multiconfigurational wavefunction theory: spectrum completeness, sub-eV accuracy and quantitative reproduction of line shapes"
Montorsi, Francesco; Segatta, Francesco; Nenov, Artur; Mukamel, Shaul; Garavelli, Marco
J. Chem. Theory Comput. 2022, 18, 2, 1003–1016 DOI: 10.1021/acs.jctc.1c00566
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1000."In Silico Ultrafast Nonlinear Spectroscopy meets Experiments: The Case of Perylene Bisimide Dye"
Francesco Segatta, Mattia Russo, Daniel R. Nascimento, Davide Presti, Francesco Rigodanza, Artur Nenov, Andrea Bonvicini, Alberto Arcioni,Shaul Mukamel, Margherita Maiuri, Luca Muccioli, Niranjan Govind,Giulio Cerullo, and Marco Garavelli
JCTC, 2021, 17, 7134-7145 DOI: 10.1021/acs.jctc.1c00570
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