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