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

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....

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. 🥈

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

Is sulphur an odd guy in #molecular_crystals? Read more in our @pccp.rsc.org paper: pubs.rsc.org/en/content/a...

We are in Bologna! Participating at the 2nd #BEST-CSP workshop. best-csp.eu/news/2nd-wor... #CompChem #MolecularCrystals

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

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

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

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...

Hello world! @cervinkagroup.bsky.social is now on BlueSky!