Home - BEST-CSP | COST Action CA22107 BEST-CSP | COST Action CA22107. Bringing Experiment and Simulation Together in Crystal Structure Prediction.

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

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

Halide Ion-Directed Symmetry Control in π-Conjugated Molecular Crystals | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Huang, Zou, and co-workers @InorgChem #halides #πConjugation #molecular_crystals #NCS #SHG #NLO

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...