List of Publications

Z.Y. Zhang; L. Restaino, A. Sen, M.O. Winghart, M. Coates, M. Odelius, M. Kowalewski, E. Nibbering, A. Rouzee, Arnaud, "Ultrafast Mapping of Electronic and Nuclear Structure in the Photo Dissociation of Nitrogen Dioxide", accepted for publication in J. Phys. Chem. Lett. (2024).

S. Berkowicz, I. Andronis, A. Girelli, M. Filianina, M. Bin, K. Nam, M. Shin, Markus Kowalewski, T. Katayama, N. Giovambattista, K. H. Kim, F. Perakis, "Supercritical density fluctuations and structural heterogeneity in supercooled water-glycerol microdroplets", arXiv:2410.08952, accepted for publication in Nature Comm. (2024).

T. Schnappinger, C. Falvo, M. Kowalewski, "Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy", arXiv:2410.00494 (2024).

L. Restaino, R. Mincigrucci, M. Kowalewski, "Distinguishing Organomagnesium Species in the Grignard Addition to Ketones with X-ray Spectroscopy", Chem. Eur. J., e202402099 (2024).

L. Borges, T. Schnappinger, M. Kowalewski, "Extending the Tavis-Cummings model for molecular ensembles - Exploring the effects of dipole self energies and static dipole moments", J. Chem. Phys., 161, 044119 (2024).

T. Schnappinger, M. Kowalewski, "Do Molecular Geometries Change Under Vibrational Strong Coupling?", J. Phys. Chem. Lett. 2024, 15, 7700, (2024).

D. Sidler, T. Schnappinger, A. Obzhirov, M. Ruggenthaler, M. Kowalewski, A. Rubio, “Unraveling a cavity induced molecular polarization mechanism from collective vibrational strong coupling”, J. Phys. Chem. Lett., 15, 5208 (2024).

D. Jadoun, M. Kowalewski, “Coherent X-Ray Spontaneous Emission Spectroscopy of Conical Intersections”, J. Chem. Phys., 160, 094102 (2024).

D. Jadoun, Z. Zhang, M. Kowalewski, “Raman Spectroscopy of Conical Intersections Using Entangled Photons”, J. Phys. Chem. Lett., 15, 2023 (2024).

S. Jiang, M. Gudem, M. Kowalewski, K. Dorfman, “Multidimensional high-harmonic echo spectroscopy: Resolving coherent electron dynamics in the EUV regime”, Proc. Natl. Acad. Sci. USA, 121, e2304821121 (2024).

2023

T. Schnappinger, M. Kowalewski, “Ab-Initio Vibro-Polaritonic Spectra in Strongly Coupled Cavity-Molecule Systems”, J. Chem. Theor. Comput., 19, 9278 (2023).

M. Gudem, M. Kowalewski, “Cavity-modified Chemiluminescent Reaction of Dioxetane”, J. Phys. Chem. A, 127, 45, 9483 (2023).

Y. Holtkamp, M. Kowalewski, J. Jasche, U. Kleinekathöfer, “Machine-Learned Correction to Ensemble-Averaged Wave Packet Dynamics”, J. Chem. Phys., 159, 094107 (2023).

T. Schnappinger, D. Sidler, M. Ruggenthaler, A. Rubio, M. Kowalewski, “Cavity-Born-Oppenheimer Hartree-Fock Ansatz: Light-matter Properties of Strongly Coupled Molecular Ensembles”, J. Phys. Chem. Lett, 14, 8024 (2023).

E. Davidsson, M. Kowalewski, “The role of dephasing for dark state coupling in a molecular Tavis-Cummings model”, J. Chem. Phys., 159, 044306 (2023).

T. Schnappinger, M. Kowalewski, “Nonadiabatic Wave Packet Dynamics with Ab Initio Cavity-Born-Oppenheimer Potential Energy Surfaces”, J. Chem. Theory Comput., 19, 460 (2023).

2022

D. Jadoun, M. Kowalewski, “Tracking Conical Intersections with Nonlinear X-Ray Raman Spectroscopy”, Ultrafast Sci., 2022, 0003 (2022).

T. Schnappinger, D. Jadoun, M. Gudem, M. Kowalewski, “Time-resolved X-ray and XUV based spectroscopic methods for nonadiabatic processes in photochemistry”, Chem. Comm., 58, 12763 (2022).

Rafael C. Couto, M. Kowalewski, “Suppressing non-radiative decay of photochromic organic molecular systems in the strong coupling regime”, Phys. Chem. Chem. Phys, 24, 19199 (2022).

L. Restaino, D. Jadoun, M. Kowalewski, “Probing Nonadiabatic Dynamics with Attosecond Pulse Trains and Soft X-ray Raman Spectroscopy”, Struct. Dynam., 9, 034101 (2022).

M. Gudem, M. Kowalewski, “Triplet-triplet Annihilation Dynamics of Naphthalene”, Chem. Eur. J., 28, e202200781 (2022).

A. Banerjee, M. Coates, M. Kowalewski, H. Wikmark, R. M. Jay, P. Wernet, M. Odelius, “Photoinduced bond oscillations in ironpentacarbonyl give delayed synchronous bursts of carbonmonoxide release”, Nature Comm. 13, 1337 (2022).

M. Kowalewski, P. Seeber, “Sustainable Packaging of Quantum Chemistry Software with the Nix Package Manager”, Int. J. Quantum Chem., 122, e26872 (2022).

2021

D. Jadoun, M. Kowalewski, “Time-Resolved Photoelectron Spectroscopy of Conical Intersections with Attosecond Pulse Trains”, J. Phys. Chem. Lett., 12, 8103 (2021).

C, Ye, S. Mallick, M. Hertzog, M. Kowalewski, K. Börjesson, “Direct Transition from Triplet Excitons to Hybrid Light-Matter States via Triplet-Triplet Annihilation”, J. Am. Chem. Soc., 143, 7501 (2021).

D. Jadoun, M. Gudem, M. Kowalewski, “Capturing Fingerprints of Conical Intersection: Complementary Information of Non-Adiabatic Dynamics from Linear X-ray Probes”, Struct. Dynam., 8, 034101 (2021).

S. Jiang, M. Kowalewski, K. E. Dorfman, “Multi-wave Mixing in the High Harmonic Regime: Monitoring Electronic Dynamics”, Opt. Express, 24, 4746 (2021).

M. Gudem, M. Kowalewski, “Controlling the Photostability of Pyrrole with Optical Nanocavities”, J. Phys. Chem. A, 125, 1142 (2021).

2020

E. Davidsson, M. Kowalewski, “Simulating Photodissociation Reactions in Bad Cavities with the Lindblad Equation”, J. Chem. Phys., 153, 234304 (2020).

E. Davidsson, M. Kowalewski, “Atom Assisted Photochemistry in Optical Cavities”, J. Phys. Chem. A, 124, 4672 (2020).

2019

A. Csehi, Á. Vibók, G. J. Halász, M. Kowalewski, “Quantum Control with Quantum Light of Molecular Nonadiabaticity”, Phys. Rev. A, 100, 053421 (2019).

A. Csehi, M. Kowalewski, G. J. Halász, Á. Vibók, “Ultrafast dynamics in the vicinity of quantum light-induced conical intersections”, New J. Phys, 21, 093040 (2019).

J. R. Rouxel, M. Kowalewski, K. Bennett, and S. Mukamel, “Direct imaging of ultrafast electron dynamics by X-ray sum frequency generation”, EPJ Web Conf., 205, 03004 (2019).

M. Kowalewski, K. Bennett, and S. Mukamel, “Monitoring nonadiabatic dynamics in molecules by ultrafast X-Ray diffraction”, EPJ Web Conf., 205, 09032 (2019).

D. Cho, J. R. Rouxel, M. Kowalewski, J. Y. Lee, and S. Mukamel, “Imaging of Transition Charge Densities Involving Carbon Core Excitations in Fluoroethane by X-ray Sum-Frequency Generation”, Philos. Trans. Royal Soc. A, 377, 20170470 (2019).

2018

R. Mincigrucci, M. Kowalewski, J. R. Rouxel, F. Bencivenga, S. Mukamel, and C. Masciovecchio “Impulsive UV-pump/X-ray probe study of vibrational dynamics in glycine”, Sci. Rep. UK, 8, 15466 (2018).

V. Al. Osipov, M. Kowalewski, and S. Mukamel “Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene”, Proc. Natl. Acad. Soc. USA, 115, 10269 (2018)

K. Bennett, M. Kowalewski, J. R. Rouxel, and Shaul Mukamel “Monitoring molecular nonadiabatic dynamics with femtosecond X-ray diffraction”, Proc. Natl. Acad. Soc. USA, 115, 6538 (2018).

J. R. Rouxel, M. Kowalewski, and S. Mukamel “Diffraction-Detected Sum Frequency Generation: Novel Ultrafast X-ray Probe of Molecular Dynamics”, J. Phys. Chem. Lett., 9, 3392 (2018).

J. R. Rouxel, M. Kowalewski, K. Bennett, and S. Mukamel, “X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics”, Phys. Rev. Lett., 120, 243902 (2018).

D. Cho, J. R. Rouxel, M. Kowalewski, P. Saurabh, J. Y. Lee, and S. Mukamel, “Phase Cycling RT-TDDFT Simulation Protocol for Nonlinear XUV and X-ray Molecular Spectroscopy”, J. Phys. Chem. Lett., 9, 1072 (2018).

D. Cho, J. Rouxel M. Kowalewski, J.Y. Lee, and S. Mukamel, “Attosecond X-ray diffraction triggered by core or valence ionization in a dipeptide”, J. Chem. Theory Comput., 14, 329 (2018).

2017

M. Kowalewksi, B. Fingerhut, K. E. Dorfman, K. Bennett, S. Mukamel, “Simulating Coherent Multidimensional Spectroscopy of Nonadiabatic Processes in Molecules: From the Infrared to the X-Ray Regime”, Chem. Rev., 117, 12165 (2017).

M. Kowalewski, K. Bennett, and S. Mukamel “Comment on "Self-Referenced Coherent Diffraction X-Ray Movie of Ångstrom- and Femtosecond-Scale Atomic Motion"”, Phys. Rev. Lett. 119 069301 (2017).

M. Kowalewski, K. Bennett, and S. Mukamel “Monitoring Nonadiabatic Avoided Crossing Dynamics in Molecules by Ultrafast X-Ray Diffraction”,
Struct. Dynam., 4, 054101 (2017).

M. Kowalewksi, S. Mukamel, “Manipulating molecules with quantum light”,
Proc. Natl. Acad. Sci. USA, 114, 3278 (2017).

J. R. Rouxel, M. Kowalewski, and S. Mukamel “Photoinduced molecular chirality probed by ultrafast resonant X-ray spectroscopy”, Struct. Dynam., 4, 044006 (2017).

2016

A. J. Orr-Ewing, J. R. R. Verlet, T. J. Penfold, R. S. Minns, M. P. Minitti, T. I. Sølling, O. Schalk, M. Kowalewski, et al. “Electronic and non-adiabatic dynamics: general discussion”, Faraday Discuss., 194, 209 (2016).

P. Decleva, A. Orr-Ewing, M. Kowalewski, et al. “Structural dynamics: general discussion”, Faraday Discuss., 194, 583 (2016).

C. Milne, P. M. Weber, M. Kowalewski, et al. “Attosecond processes and X-ray spectroscopy: general discussion”, Faraday Discuss., 194, 427 (2016).

M. Kowalewski, K. Bennett, and S. Mukamel “Manipulating Ultrafast Nondiabatic Dynamics of Molecules in Optical Cavities”, International Conference on Ultrafast Phenomena, UW4A.3, doi:10.1364/UP.2016.UW4A.3 (2016).

M. Kowalewski, K. Bennett, J. R. Rouxel, and S. Mukamel “Monitoring Ultrafast Nonadiabatic Dynamics in Molecules by Streaking of Photoelectrons”, International Conference on Ultrafast Phenomena, UTh5A.2, doi:10.1364/UP.2016.UTh5A.2 (2016).

K. Bennett, M. Kowalewski, and S. Mukamel “Coherent Signatures of Conical Interesctions in Ultrafast Raman and Photoelectron Spectroscopy”, International Conference on Ultrafast Phenomena, UM2A.5, doi:10.1364/UP.2016.UM2A.5 (2016).

K. Bennett, M. Kowalewksi, and S. Mukamel “Novel Photochemistry of Molecular Polaritons in Optical Cavities”, Faraday Discuss., 194, 259 (2016).

M. Kowalewksi, E. Larsson, and A. Heryudono “An adaptive interpolation scheme for molecular potential energy surfaces”, J. Chem. Phys., 145, 084104 (2016).

J. R. Rouxel, M. Kowalewski, and S. Mukamel “Current vs Charge Density Contributions to Nonlinear X-ray Spectroscopy”, J. Chem. Theory Comput., 12, 3959 (2016) .

M. Kowalewksi, K. Bennett, J. R. Rouxel, and S. Mukamel “Monitoring Nonadiabatic Molecular Dynamics by Attosecond Streaking of Photoelectrons”, Phys. Rev. Lett., 117, 043201 (2016).

K. Bennett, Y. Zhang, M. Kowalewski, W. Hua, and S. Mukamel “Multidimensional Resonant Nonlinear Spectroscopy with Coherent Broadband X-Ray Pulses”, Phys. Src., T169, 014002 (2016).

M. Kowalewksi, K. Bennett, and S. Mukamel “Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings”, J. Phys. Chem. Lett., 7, 2050 (2016).

M. Kowalewski, K. Bennett, and S. Mukamel “Non-adiabatic dynamics of molecules in optical cavities”, J. Chem. Phys. 144, 054309 (2016).

K. Bennett, M. Kowalewski, and S. Mukamel “Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy”, J. Chem. Theory Comput., 12, 740 (2016).

2015

M. Kowalewski, K. Bennett, K. E. Dorfman, and S. Mukamel “Catching conical intersections in the act: Monitoring transient electronic coherences by attosecond stimulated x-ray raman signals”, Phys. Rev. Lett., 115, 193003 (2015).

M. Kowalewski, and S. Mukamel “Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function”, J. Chem. Phys., 143, 044117 (2015).

H. Stegeby, M. Kowalewski, K. Piszczatowski, and H. O. Karlsson “Wave Packet Simulations of Antiproton Scattering on Molecular Hydrogen”, J. Phys. B: At. Mol. Opt. Phys., 48, 195204 (2015).

K. Bennett, M. Kowalewski, and S. Mukamel, “Probing Electronic and Vibrational Dynamics in Molecules by Time-Resolved Photoelectron, Auger-Electron, and X-ray Photon Scattering Spectroscopy”, Farraday Discuss. 177, 405 (2015).

2014 and earlier

S. Thallmair, M. Kowalewski, J. P. P. Zauleck, M. K. Roos, and Regina de Vivie-Riedle, “Quantum Dynamics of a Photochemical Bond Cleavage Influenced by the Solvent Environment: A Dynamic Continuum Approach”, J. Phys. Chem. Lett., 5, 3480 (2014).

M. Kowalewski, J. Mikosch, R. Wester, and R. de Vivie-Riedle, “Nucleophilic substitution dynamics: comparing wavepacket calculations with experiment”, J. Phys. Chem. A. 118, 4661 (2014).

C. Gollub, P. von den Hoff, M. Kowalewski, U. Troppmann, and R. de Vivie-Riedle “Vibrational energy transfer through molecular chains: an approach toward scalable information processing”
in: Quantum information and computation for chemistry, S. Kais (Ed.), A. R. Dinner, S. A. Rice (Series Eds.), Adv. Chem. Phys. 154, John Wiley & Sons, Inc., Hoboken, New Jersey, 371 (2014)

M. Kowalewski, R. de Vivie-Riedle “Wave packet dynamics of the gas phase collision reaction of chloride and methyl iodide” XIXth Symposium on Atomic, Cluster and Surface Physics, David Stock, Roland Wester, Paul Scheier (Eds.), Innsbruck University Press, ISBN 978-3-902936-26-4 (2014).

N. Fischer, M. Feller , T. M. Klapötke, M. Kowalewski, S. Scheutzow, J. Stierstorfer, “Spectroscopic Investigations of High-Nitrogen Compounds for Near-Infrared Illuminants”, Propellants Explos. Pyrotech. 39, 166 (2014).

M. Kowalewski, S. Kahra, G. Leschhorn, T. Schätz, and R. de Vivie-Riedle “Femtosecond pump-probe spectroscopy for single trapped molecular ions” Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web Conf. 41, 02028 (2013).

S. Thallmair, M. Kowalewski, B. P. Fingerhut, C. F. Sailer, and R. de Vivie-Riedle “Molecular wave packet dynamics decelerated by solvent environment: A theoretical approach” Ultrafast Phenomena XVIII, M. Chergui, S. Cundiff, A. Taylor, R. de Vivie-Riedle, K. Yamanouchi (Eds.), EPJ Web Conf. 41, 05043 (2013).

P. von den Hoff , S. Thallmair , M. Kowalewski , R. Siemering and R de Vivie-Riedle “Optimal control theory – closing the gap between theory and experiment”, Phys. Chem. Chem. Phys. 14, 14460 (2012).

S. Kahra, G. Leschhorn, M. Kowalewski, A. Schiffrin, E. Bothschafter, W. Fuß, R. de Vivie-Riedle, R. Ernstorfer, F. Krausz, R. Kienberger, T. Schaetz, “Controlled delivery of single molecules into ultra-short laser pulses, a molecular conveyor belt”, Nature Phys. 8, 238 (2012).

M. Kowalewski, G. Morigi, P. W. H. Pinkse, R. de Vivie-Riedle “Cavity sideband cooling of trapped molecules”, Phys. Rev. A 84, 033408 (2011).

P. von den Hoff, M. Kowalewski, R. de Vivie-Riedle “Searching for pathways involving dressed states in optimal control theory”, Faraday Discuss. 153, 159 (2011).

P. von den Hoff, R. Siemering, M. Kowalewski, R. de Vivie-Riedle, “Electron Dynamics and Its Control in Molecules: From Diatomics to Larger Molecular Systems”, Selected Topics in Quantum Electronics, IEEE Journal of 18, 119 (2011).

C. Gollub, M. Kowalewski, S. Thallmair, R. Vivie-Riedle, “Chemoselective quantum control of carbonyl bonds in Grignard reactions using shaped laser pulses”, Phys. Chem. Chem. Phys. 12, 15780 (2010).

C. Gollub, M. Kowalewski, R. de Vivie-Riedle, “Monotonic Convergent Optimal Control Theory with Strict Limitations on the Spectrum of Optimized Laser Fields”, Phys. Rev. Lett. 101, 073002 (2008).

M. Kowalewski, G. Morigi, P. W. H. Pinkse, R. de Vivie-Riedle, “Cavity cooling of translational and ro-vibrational motion of molecules: ab initio-based simulations for OH and NO”, Appl. Phys. B 89, 459 (2007).

G. Morigi, P. W. H. Pinkse, M. Kowalewski, R. de Vivie-Riedle, “Cavity Cooling of Internal Molecular Motion”, Phys. Rev. Lett. 99, 073001 (2007).

M. Kowalewski, B. Krumm, P. Mayer, A. Schulz, A. Villinger, “Transition-Metal-Free Boron-Carbon Bond Activation: Insertion of an NNP Fragment into a Boron-Carbon Bond”, Eur. J. Inorg. Chem. 2007, 5319 (2007)

M. Kowalewski, P. Mayer, A. Schulz, A. Villinger, “Reinvestigation of hydrazinium tetrafluoroborate”, Act. Cryst. E 62, 248 (2006)