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#CrystalStructurePrediction

Latest posts tagged with #CrystalStructurePrediction on Bluesky

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Posts tagged #CrystalStructurePrediction

CCDC Cambridge
CCDC Cambridge
@ccdc.cam.ac.uk
4 months ago
Promotional graphic showing the graphical abstract from the publication.

Promotional graphic showing the graphical abstract from the publication.

This Crystal Growth & Design @pubs.acs.org article presents an altered method for molecular crystal structure prediction.

By adapting a structural similarity kernel, the authors show better interpretability and lattice energy predictions.

📄 doi.org/10.1021/acs....
💎 #CrystalStructurePrediction

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ČervinkaGroup
ČervinkaGroup
@cervinkagroup.bsky.social
8 months ago
Post image Post image

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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Jordan Dorrell
Jordan Dorrell
@stochasticchemist.bsky.social
1 year ago

Hi! I'm Jordan: a PostDoc in the Day Group at Southampton!

Come talk to me about crystal structure prediction methods!
#chemsky #compchemsky #compchem #crystalstructureprediction

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