The Slavíček Group

The research group in theoretical chemistry. Photodynamics, computational electrochemistry, X-ray science, and molecular simulations.

[The Slavíček Group @PhotoxGroup]

Curious how curvature-driven methods stack up when pushed out of their comfort zone! We tested them in scenarios where they shouldn’t work. It’s still Landau-Zener surface hopping that wins.

#CompChem @ACSPublications @VSCHT https://t.co/2okyDIYQkF

[The Slavíček Group @PhotoxGroup]

We're offering a PhD position in our lab as part of the MSCA Lumiere network. Focus: Modeling time-resolved photoemission in liquid phase, X-ray spectroscopies, and photodynamics.

Learn more and apply here:

https://t.co/etgteIrqBl

#PhD #ResearchOpportunity #CompChem

[The Slavíček Group @PhotoxGroup]

Blame the potentials!

Different electronic structure methods skew predictions for stilbene photoisomerization.

A thrifty bias-driven sensitivity analysis uncover the issue.

Read more here: https://t.co/KuhM73VY82

#ComputationalChemistry #Photodynamics @VSCHT @JCIM_JCTC

[The Slavíček Group @PhotoxGroup]

#compchem #synchrotron #spectroscopyTracing the birth of hydrated electrons upon core electron ionization of hydrated ions. Attosecond dynamics with core hole clock method.@NatureComm @VSCHT https://t.co/SsJp3Y5Ycf

[The Slavíček Group @PhotoxGroup]

New way to include laser field into trajectory-based simulations by tailoring initial conditions Nice collaboration with @insilphotochem and @JiriJanos https://t.co/H8EIU7NriV @VSCHT #compchem

[The Slavíček Group @PhotoxGroup]

Stanovisko Učené společnosti k užití olympijské symboliky ve vědmomostních soutěžích.

[Učená společnost ČR @ucena_spol]

Otevřený dopis pro @MikulasBek @msmtcr a ČOV k olympijské symbolice:
"Celá věc je natolik neuvěřitelná a absurdní, že se snad musí jednat jen o jakési nedorozumění nebo nevhodnou aktivitu jednotlivců, která není vyjádřením oficiálního názoru ČOV ani ministerstva školství."

[The Slavíček Group @PhotoxGroup]

@spiwokv The characteristic equations were used in astronomy for phenomena like secular variations.

[The Slavíček Group @PhotoxGroup]

Petr Slavíček delves into secular equations in chemistry, while Mustafa Kemal Atatürk envisions a secular future for Turkey. Both achieved only partial success in their pursuits.

[The Slavíček Group @PhotoxGroup]

Some like it short: cyanine truncation with homogeneous catalysis. Our story: highly correlated ab initio methods should be used for such reactions. Nice collaboration with the group of Petr Klán.

#Cyanines #catalysis #quantumchemistry
@J_A_C_S @VSCHT https://t.co/czrFq4k8sJ

[The Slavíček Group @PhotoxGroup]

@MarioBarbatti I might choose different 15 minutes of attention in 40 minutes talk than you.

[The Slavíček Group @PhotoxGroup]

Can Intermolecular Coulombic Decay become a new method for liquid phase spectroscopy? We believe it can! Exciting collaboration with Bernd Winter at @fhi_mpg_de and @BradforthGroup. #Photoemission #ATP #Biochemistry @J_A_C_S @VSCHT
https://t.co/jaPzBabLQY

[The Slavíček Group @PhotoxGroup]

Thrilled to welcome Ben Levine from Stony Brook University to our group! We've accomplished a lot together—real, impactful work. #photodynamics @vschtpraha @SBUChemistry @IACSComputes

[The Slavíček Group @PhotoxGroup]

How predictive is computational photodynamics? 15 research teams tried their best to predict ultrafast electron diffraction experiment. Our contribution with @insilicophotochem just went out. #predictionchallenge #photodynamnics

https://t.co/T8x0ZuCI3r

[The Slavíček Group @PhotoxGroup]

Activating UV chromophores with red light with a new energy transfer process. Nice collaboration with Petr Klán. @VSCHT

Visible-Light-Activated Carbon Monoxide Release from Porphyrin–Flavonol Hybrids | Journal of the American Chemical Society https://t.co/roCuo2D0jc

[The Slavíček Group @PhotoxGroup]

Congratulations to Dr. Lukáš Tomaník, the 2023 laureate of Zdenek Herman prize for best dissertation in chemical physics!

[VŠCHT / UCT Prague @VSCHT]

Za svou dizertační práci Photoemission spectroscopy of liquids obdržel Dr. Lukáš Tomaník z Ústavu fyzikální chemie VŠCHT Praha Cenu Zdeňka Hermana za rok 2023.

[The Slavíček Group @PhotoxGroup]

Nuclear quantum effects are mediating photocatalytic reactions – that was our small contribution great work by @PetrBeier Proud to be part of the story. @IOCB @VSCHT Praha @angew_chem @Slanina_Group

[Petr Beier🇨🇿🇪🇺🧪📝 @PetrBeier]

Photocatalytic generation of CF3-nitrene for alkene aziridination. Just published in Angewandte Chemie. Congratulations to my co-workers Norbert Baris, Petr Slavíček, Tomáš Slanina and Martin Dračínský. https://t.co/D43UCLVLbE

[The Slavíček Group @PhotoxGroup]

Working with @Slanina_Groupforced us to (finally) understand spin-orbit couplings in organic chromophores. Or at least to attempt. Thanks.

Read more:

https://t.co/JVECEcaV8v

#photochemistry #BODIPY

@ChemEurJ @VSCHT @IOCB

[The Slavíček Group @PhotoxGroup]

Will liquid jet photoemission spectroscopy become a new tool for revealing biomolecular structures? We believe so.

https://t.co/NBLC5cvadf

#biomolecuels #photoemission #liquids

@VSCHT @DESY @fhi_mpg_de @JPhysChem

[The Slavíček Group @PhotoxGroup]

It's the electronic structure that matters. In a new paper, we discuss the present-day practice in photodynamics. #photodynamics #compchem @VSCHT
What Controls the Quality of Photodynamical Simulations? Electronic Structure Versus Nonadiabatic Algorithm https://t.co/tCmTHf7P0t

[The Slavíček Group @PhotoxGroup]

Some time ago, I looked at popularity of time units as measured by Google ngram. Attoseconds have never beaten even picoseconds. That might change today. #attoscience #nobelprize