And the most recent #JournalClub on interpreting the #PXRD patterns of covalent organic #frameworks #COF by @mollart.bsky.social based on Lotsch group’s paper www.grynova-ccc.org/journal-club...

Paper accepted in @rsc.org Materials Chemistry Frontiers showing an automated fragmentation of #COFs for property analysis: pubs.rsc.org/en/Content/A...

Diversity-oriented route to functional covalent triazine frameworks An alternative route to synthesise TCNQ-CTF by using trifluoromethanesulfonic (TFMS) acid catalysis is presented, in comparison to a previously reported ZnCl2-catalysed synthesis. The new synthetic ro...

New paper accepted in @rsc.org Polymer Chemistry! Our alternative synthesis of TCNQ-CTF leads to increased diversity and functionality, as seen from our #compchem calculations #porouspolymers
pubs.rsc.org/en/content/a...

Thank you to the @rsc.org for awarding me a researcher development and travel grant to support conference participation next year!

I had a great time attending the @rsc.org Joliot Curie funding workshop: securing an independent academic research career in the beautiful Burlington House last month. A very useful experience with insightful talks from Prof. Dame Ijeoma Uchegbu @nichollebell8.bsky.social @drriannelord.bsky.social.

I had a blast presenting our work with @mollart.bsky.social and @michelle-ernst.bsky.social on #COF and #MOF at the vdW/L Discussions! Thank you Alex and Mirela for having me!

Great experience to present my #compchem poster showcasing how interlayer stacking affects 2D #COF electronic properties at the @euromof.bsky.social conference last week in the beautiful Crete!

Privileged to organise (with @clarakirkvold.bsky.social, @jeanquertinmont.bsky.social and Neha Yadav) the inaugural @uobchemistry.bsky.social conference!
Featuring: fantastic presentations from UoB postdocs, keynotes from Rachel O'Reilly and @atarzia.bsky.social, careers panel, and a @rsc.org talk.

Thank you to the Mathematics, Ai and Data Science for Material Innovations #MADSMIN organisers (Tony Nixon, Abbie Trewin and Vitaliy Kurlin) for inviting me to present @lancasteruni.bsky.social this week! It's been a pleasure. #compchem

Thank you to the #UKPorMat organisers for allowing me to present today at such a wonderful conference! @rsc-pormat.bsky.social

UKPORMAT update: We have confirmed our list of Invited Speakers for the 8th Annual UK Porous Materials Conference (UKPorMat) in Birmingham 3-4 June.

Registration closes: 16th May 2025

More information: www.ukpormat.com

Best practices #Journal_club from @mollart.bsky.social on the use (and abuse) of #continuum #solvent_models #compchem www.grynova-ccc.org/journal-club...

Thank you!

A New Combined Computational and Experimental Approach to Characterize Photoactive Conjugated 3D Polymers A new tractable computational protocol analyzes experimental spectra to illuminate the oligomeric scale structure of amorphous 3D polymers. Using Ambuild software, it generates representative molecul...

New paper is out! "A New Combined Computational and Experimental Approach to Characterize Photoactive Conjugated 3D Polymers", has been published in Small! Read it here: doi.org/10.1002/smll... #publishedarticle

The Devil Is in the Details: Pitfalls and Ambiguities in the Analysis of X-ray Powder Diffraction Data of 2D Covalent Organic Frameworks X-ray powder diffraction (XRPD) data of covalent organic frameworks (COFs) seem to be simple and apparently do not contain a lot of structural information, as these patterns usually do not show more t...

What do #COF materials really look like? Well ... It's tricky.
Check out our recent article about disorder effects in COFs and how refinements are important, yet not really straightforward...oftentimes coming up short from the big picture.

pubs.acs.org/doi/10.1021/...

#Science #Chemsky

Thank you to the HYMO-M2P organisers for their fantastic conference in Zagreb last week! @grynova.bsky.social #multiscale #theoreticalchem #modelling