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ČervinkaGroup

@cervinkagroup.bsky.social
45 followers 32 following 18 posts

Computational-thermodynamics research group, lead by dr. Ctirad Červinka, at @vschtpraha.bsky.social Prague. sites.google.com/view/cervinkagroup

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ČervinkaGroup @cervinkagroup.bsky.social · 07/10/2026
Another exciting collaboration with our friends from @NUSingapore resulted in a @natcatal.nature.com paper about #nanoscopy imaging of #electrocatalysis not only for #hydrogen production. Read more in doi.org/10.1038/s419... #CompChem #moleculardynamics
doi.org
Single-turnover optical imaging of nonfluorescent electrocatalysis - Nature Catalysis
A method is developed for the operando imaging of individual electrocatalytic turnovers at subparticle resolution — DELINE. Applied to surface water dissociation, this approach reveals nanoscale kinet...
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ČervinkaGroup @cervinkagroup.bsky.social · 06/10/2026
Congrats to Honza! He is the first PhD degree holder graduated from our group at @vschtpraha.bsky.social. He has been working with us on development of atomistic models of phase equilibria in molecular materials. #compchem #abinitio
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ČervinkaGroup @cervinkagroup.bsky.social · 17/07/2026
Now in Lisbon, attending at the 3rd #BEST-CSP workshop bringing experiment and simulation together in #CrystalStructurePrediction for #MolecularCrystals #PhysChem #CompChem 3workshopbestcsp.campus.ciencias.ulisboa.pt
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ČervinkaGroup @cervinkagroup.bsky.social · 23/05/2026
Our group just returned from the 3rd International Symposium on Chemical #Thermodynamics for Young Researchers, held in an authentic spiritual atmosphere of an ancient convent in Laurino, Italy. Congrats to Petr for his talk award! #ISCTYR #PhysChem
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ČervinkaGroup @cervinkagroup.bsky.social · 12/05/2026
We are proud to be a part of an exciting collaboration on development of new #nanoscopy for analysis of #electrode surfaces. Our #moleculardynamics simulations helped to validate the novel method. Read more in @natmater.nature.com #CompChem rdcu.be/fihL9
rdcu.be
Optical nanoscopy of spatiotemporal metal stripping cooperativity at single-ion and subparticle resolution
Nature Materials - Complex coupled ion–electron interfacial processes are poorly understood but crucial to battery dynamics. Here an ion-localization optical nanoscopy that enables single-ion...
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ČervinkaGroup @cervinkagroup.bsky.social · 28/04/2026
Check out how such notorious glass formers as #IonicLiquids can be tamed by #CrystalStructurePrediction in our recent #JCTC @pubs.acs.org paper. Thanks to @graemeday.bsky.social for a fruitful collaboration! #CompChem #chemsky pubs.acs.org/doi/10.1021/...
pubs.acs.org
Crystal Structure Prediction for Aprotic Ionic Liquids – Searching for the Unknown
Ionic liquids (ILs) represent an extensively studied class of materials. Nevertheless, their solid state has often been overlooked, leading to frequent knowledge gaps about their phase behavior or cry...
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ČervinkaGroup @cervinkagroup.bsky.social · 09/04/2026
Enjoying participation at the #Walden_panel for young researchers on #ionic_liquids at the University of Latvia in Riga!
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ČervinkaGroup @cervinkagroup.bsky.social · 23/12/2025
We are taking up a challenge with the #BEST-CSP blind test of predictions of physical properties of #molecular_crystals. Let's see what we can achieve before May. best-csp.eu #COSTactions #CompChem #PhysChem
best-csp.eu
Home - BEST-CSP | COST Action CA22107
BEST-CSP | COST Action CA22107. Bringing Experiment and Simulation Together in Crystal Structure Prediction.
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ČervinkaGroup @cervinkagroup.bsky.social · 05/12/2025
Read about how we tamed bulk molecular liquids by Monte Carlo simulations and the coupled-clusters theory. Now in #JCTC by @pubs.acs.org. #compchem #physchem pubs.acs.org/doi/full/10....
pubs.acs.org
Introducing the Coupled-Cluster Theory to the Amorphous World of Liquids and Their Thermodynamic Simulations
Amorphous molecular materials are ubiquitous, spanning drugs, semiconductors, or solvents. Large predictive capabilities of quantum-chemical simulations of structural and thermodynamic properties and ...
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ČervinkaGroup @cervinkagroup.bsky.social · 27/11/2025
Our team enjoyed the Students' scientific conference at @vschtpraha.bsky.social again. We contributed two presentations about modeling molecular crystals this year, earning a silver medal. 🥈
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ČervinkaGroup @cervinkagroup.bsky.social · 13/10/2025
Now in the Windy City! Going to talk about our first-principles models of proton transfers in crystals of biogennic molecules at #ECS248 #ECSChicago #CompChem
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ČervinkaGroup @cervinkagroup.bsky.social · 30/09/2025
Is sulphur an odd guy in #molecular_crystals? Read more in our @pccp.rsc.org paper: pubs.rsc.org/en/content/a...
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ČervinkaGroup @cervinkagroup.bsky.social · 11/09/2025
We are in Bologna! Participating at the 2nd #BEST-CSP workshop. best-csp.eu/news/2nd-wor... #CompChem #MolecularCrystals
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ČervinkaGroup @cervinkagroup.bsky.social · 26/06/2025
We are at #WATOC2025! Presenting two contributions about our development of #AbInitio #MonteCarlo simulations for molecular liquids and about peculiarities of #CrystalStructurePrediction for #IonicLiquids. #CompChem #PhysChem
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ČervinkaGroup @cervinkagroup.bsky.social · 25/06/2025
A seal of excellence for our fresh graduate student Veronika! She was awarded with the Josef Novák prize at @vschtpraha.bsky.social for her Master thesis dealing with #molecular_dynamics simulations of inner dynamics and glass transitions in #porous_liquids. Congrats! #CompChem #PhysChem
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ČervinkaGroup @cervinkagroup.bsky.social · 24/05/2025
Today contributing to #MQM2025 in #Kyoto! Representing the #EcoStore project solved at @vschtpraha.bsky.social and promoting our recent work about efficient in silico modeling of #molecular_crystals from #jctc @pubs.acs.org: pubs.acs.org/doi/10.1021/... #CompChem #PhysChem
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ČervinkaGroup @cervinkagroup.bsky.social · 20/05/2025
Dynamic disorder in #molecular_crystals can be a good servant, but also a bad master! Read more in our new highlight paper in @crystengcomm.rsc.org #compchem #physchem pubs.rsc.org/en/content/a...
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ČervinkaGroup @cervinkagroup.bsky.social · 18/04/2025
Hello world! @cervinkagroup.bsky.social is now on BlueSky!
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