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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Sep 10

New preprint online 🎉 Together with @lucasgborges.bsky.social and @tqdspec.bsky.social , we investigated how optical cavities can selectively excite vibrational states in the STIRAP way 💡https://arxiv.org/abs/2509.07753 #chemsky 🧪 #polaritonics

Selective excitation of molecular vibrations via a two-mode cavity Raman scheme

The experimental realization of strong light-matter coupling with molecules initiated the rapidly evolving field of molecular polaritonics. Most studies focus on how exciton polaritons, which combine ...

arxiv.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Jul 25

Paper alert 🎉 Shedding light on dark polaritonic states!
@lucasgborges.bsky.social, @tqdspec.bsky.social
and I explore the role of dark polaritonic states in strong light-matter coupling. Read on to find out how multiple excitations can favor polaritonic reactions! #chemsky 🧪 #polaritonics

Impact of Dark Polariton States on Collective Strong Light–Matter Coupling in Molecules

Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light–matter coupling in optical cavities, as demonstrated in numerous experimen...

pubs.acs.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · May 15

🥳 Check out our new paper, just released with @pubs.acs.org! #compchem #chemsky 🧪 #polaritonics
Together with @tqdspec.bsky.social, we investigated how vibrational strong coupling can locally change molecular polarizabilities and analyzed vibro-polaritonic Raman spectra.
pubs.acs.org/doi/10.1021/...

Molecular Polarizability under Vibrational Strong Coupling

Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes...

pubs.acs.org

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Markus Kowalewski @tqdspec.bsky.social · Apr 30

New pre-print out with @tschnappinger.bsky.social and @lucasgborges.bsky.social!
We took a closer look at the higher the excitation manifolds of the Tavis-Cummings model and how they are connected to polaritonic chemistry:
arxiv.org/abs/2504.20798

The role of dark polariton states for electronic strong coupling in molecules

Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light-matter coupling in optical cavities, as demonstrated in numerous experimen...

arxiv.org

1 1 1

Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Mar 24

New preprint with @tqdspec.bsky.social 🥳
In our latest work, we investigate how strong vibrational coupling can induce local changes in molecular ensembles. Using an ab-initio method, we've analyzed polarizabilities and gained insight into vibro-polaritonic Raman spectra:
arxiv.org/abs/2503.17102

Molecular Polarizability under Vibrational Strong Coupling

Polaritonic chemistry offers the possibility of modifying molecular properties and even influencing chemical reactivity through strong coupling between vibrational transitions and confined light modes...

arxiv.org

1 2 2

Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Mar 7

Two in a row 🎉
Curious about why two might be better than one when it comes to molecular polaritonics? 🤔
Check out our new paper with @tqdspec.bsky.social:

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference

The ability to control chemical reactions by coupling organic molecules to confined light in a cavity has recently attracted much attention. While most previous

pubs.aip.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Feb 24

Check out @lostaino.bsky.social latest paper with a really fancy TOC figure: How photoelectron spectroscopy can be used to study ultrafast dynamics in benzophenone. A nice theoretical work together with @tqdspec.bsky.social: doi.org/10.1063/5.02... #chemsky, #compchemsky

Simulating nonadiabatic dynamics in benzophenone: Tracing internal conversion through photoelectron spectra

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light

doi.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Dec 27

What a nice Christmas present 🎄 Our article on double quantum coherence spectroscopy for vibrational coupling strong was published yesterday! Thanks to Cyril Falvo and @tqdspec.bsky.social for a great collaboration! This is a great way to end an exciting year!

Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy

Vibrational polaritons are formed by strong coupling of molecular vibrations and photon modes in an optical cavity. Experiments have demonstrated that vibration

doi.org

2 1 6

Markus Kowalewski @tqdspec.bsky.social · Dec 16

Curious about why two might be better than one when it comes to molecular polaritonics? Check out our new preprint with @tschnappinger.bsky.social arxiv.org/abs/2412.10123
#science #polaritonicchemistry

Enhanced photoisomerization with hybrid metallodielectric cavities based on mode interference

The ability to control chemical reactions by coupling organic molecules to confined light in a cavity has recently attracted much attention. While most previous studies have focused on single-mode pho...

arxiv.org

1 1 2

Markus Kowalewski @tqdspec.bsky.social · Nov 27

Check out our latest paper with @lostaino.bsky.social on the dynamics of NO2
dx.doi.org/10.1021/acs....

Ultrafast Mapping of Electronic and Nuclear Structure in the Photo Dissociation of Nitrogen Dioxide

We investigate the photoinduced dissociation reaction of NO2 → NO + O upon electronic excitation of the X̃2A1 (D0) to the Ã2B2 (D1) state by femtosecond X-ray absorption spectroscopy at the nitrogen K...

dx.doi.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Nov 22

New preprint on how photoelectron spectroscopy can be used to study ultrafast dynamics in benzophenone. A nice theoretical work including mixed and full quantum dynamics simulations together with @lostaino.bsky.social, @tqdspec.bsky.social and myself:
arxiv.org/abs/2411.14134
#chemsky, #compchem

Simulating Nonadiabatic Dynamics in Benzophenone: Tracing Internal Conversion Through Photoelectron Spectra

Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light-emitting diodes. In particular, its int...

arxiv.org

2 4

Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Nov 22

Find out how an analytical model can help unravel the mysteries of collective strong coupling! Thanks for the great collaboration Jacob Horak, Dominik Sidler, Wei-Ming Huang, Michael Ruggenthaler and Angel Rubio:
arxiv.org/abs/2401.16374

#Physics, #chemsky, #CompChemSky

Analytic Model Reveals Local Molecular Polarizability Changes Induced by Collective Strong Coupling in Optical Cavities

Despite recent numerical evidence, one of the fundamental theoretical mysteries of polaritonic chemistry is how and if collective strong coupling can induce local changes of the electronic structure t...

arxiv.org

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Reposted by Markus Kowalewski

Thomas Schnappinger @tschnappinger.bsky.social · Oct 2

New preprint with Cyril Falvo and Markus Kowalewski on how double quantum coherence spectroscopy can help study the mystery of vibrational strong coupling: arxiv.org/abs/2410.00494

Disentangling collective coupling in vibrational polaritons with double quantum coherence spectroscopy

Vibrational polaritons are formed by strong coupling of molecular vibrations and photon modes in an optical cavity. Experiments have demonstrated that vibrational strong coupling can change molecular ...

arxiv.org

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