Simon Krause
@simonkrause.bsky.social did:plc:x4rj7s3jzqlantbja4p7lbns
Interested in dynamics of materials on any scale, especially in porous materials #MOFs. Professor for inorganic chemistry at @Uni_ulm https://simonkrause-chem.de
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Simon Krause (@simonkrause.bsky.social) ist seit 20 November 2024 auf Bluesky. Das Konto hat 706 Follower, folgt 510 Konten und hat 146 Posts veröffentlicht.
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Check out our new work on identification of #MOF phases and dynamics by THz Raman spectroscopy - great work by @krisgjorgjevikj.bsky.social et al. and many more follow ups to come. I am particularily fond of the non-AI grafical abstract! pubs.rsc.org/ma/article/d...
Post anzeigenPhenol-DrivenModulation Enables the Crystallizationof Titanium Metal–Organic Frameworks https://pubs.acs.org/jacsat/article/doi/10.1021/jacs.6c16169/5461186/Phenol-Driven-Modulation-Enables-the
Post anzeigenThank you, good idea! In principle yes. The current version is not suitable for high throughput screening, but I guess it can be easily adapted. The difficult part will be to choose meaningful degrees of freedom and choose proper criteria for interpreting the results.
Post anzeigenNature research paper: A single-molecule spin–photon interface go.nature.com/4zZYzpH
Post anzeigenI vibe-coded NetsUnhinged, a small app for screening framework materials for potential flexibility. It treats the framework as rigid bodies joined by hinges/joints. You load a CIF, click atoms and bonds to choose what can move, and see the possible deformation modes in 3D. github.com/JBWeiss-chem...
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