Thomas Schnappinger

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

This study is partly based on Lorenzo's earlier work which is also worth a read 😀 doi.org/10.1063/5.02...

Just accepted in @pccp.rsc.org 🎉 #chemsky #compchemsky
In Lorenzo's @lostaino.bsky.social new paper we follow the nonadiabatic dynamics of meta-Methylbenzophenone! Together with @tqdspec.bsky.social we combine quantum dynamics and advanced X-ray spectroscopy techniques:
doi.org/10.1039/D5CP...

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 ...

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

Sorry, I forgot to add you, @frott.bsky.social 😅

🧪 #Chemsky

Attosecond spectroscopy of molecular charge transfer uncovers a 1.5-fs delay in population transfer - Nature Communications While population transfer between electronic states occurs instantly in two-state model systems, here the authors show that real-world systems with coupling to additional states can exhibit measu...

Since 1932, it has been believed that quantum state transitions occur instantly. However, our study revealed a 1.46 fs delay due to third-state coupling. This changes the way we think about ultrafast population transfer in photochemistry and electronics. Have a read: doi.org/10.1038/s414...

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...

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

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...

🥳 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/...

🧪 #Chemsky and lets see if we can boost #polaritonics 🎉

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...

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

Sambit Kumar's thesis in Chemical Physics - Department of Physics Fysikum congratulates our PhD student Sambit Kumar, who successfully defended his thesis: “Molecular Transients in Photoactive Heterocyclic Systems” on April 11, 2025.

Fysikum congratulates our PhD student Sambit Kumar, who successfully defended his thesis: “Molecular Transients in Photoactive Heterocyclic Systems” on April 11, 2025.
www.su.se/department-o...
#fysik #fysikum #stockholmuni

And as always, I almost forgot the most important things to add: 🧪 #ChemSky #CompChemSky

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...

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

And nearly forgotten to add 🧪 #ChemSky and #CompChemSky

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

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:

📣 New paper alert!
🤔 How can an analytical model help unravel the mysteries of collective strong coupling in molecular systems?
😀We give you the answer in our new paper!!
🧪 #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

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

🧪 #chemsky and #polaritonics

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

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!

#compchem

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...

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

My first homemade bread in Sweden😁

Congratulations, it was a long journey but great to see it finally published.
#chemsky #compchem

Looking forward to present our results on vibrational strong coupling in molecular polaritonics at the Institute of Applied Physics, TU Darmstadt!

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...

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

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...

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

I'm delighted to announce that I have received a Starting Grant from the Swedish Research Council! This support will allow me to further explore how strong light-matter interactions can influence and control (photo)chemical reactions at Stockholm University. I am excited about the journey ahead!

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 ...

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

Bluesky now has over 10 million users, and I was #2.767.331!

Extending the Tavis–Cummings model for molecular ensembles—Exploring the effects of dipole self-energies and static dipole moments Strong coupling of organic molecules to the vacuum field of a nanoscale cavity can be used to modify their chemical and physical properties. We extend the Tavis

Making the Tavis-Cummings model ready for the molecular ensemble. @lucasgbo.bsky.social pubs.aip.org/aip/jcp/arti...