Catherine Mollart
@mollart.bsky.social
Postdoc in Gryn'ova CCC group at UoB | Chemistry PhD @ Lancaster 2024 |
Computational materials chemist interested in porous materials.
Computational materials chemist interested in porous materials.
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.
November 20, 2025 at 5:21 PM
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.
Reposted by Catherine Mollart
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!
October 17, 2025 at 8:21 AM
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!
October 2, 2025 at 8:46 AM
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.
Featuring: fantastic presentations from UoB postdocs, keynotes from Rachel O'Reilly and @atarzia.bsky.social, careers panel, and a @rsc.org talk.
September 20, 2025 at 1:53 PM
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.
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
June 12, 2025 at 4:27 PM
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
Great talk by @mollart.bsky.social at #UKPorMat @uobchemistry.bsky.social on how layer arrangement affects the band gaps in 2D #COFs #compchem
June 4, 2025 at 1:21 PM
Thank you to the #UKPorMat organisers for allowing me to present today at such a wonderful conference! @rsc-pormat.bsky.social
Reposted by Catherine Mollart
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
Registration closes: 16th May 2025
More information: www.ukpormat.com
May 1, 2025 at 11:17 AM
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
Registration closes: 16th May 2025
More information: www.ukpormat.com
Reposted by Catherine Mollart
Best practices #Journal_club from @mollart.bsky.social on the use (and abuse) of #continuum #solvent_models #compchem www.grynova-ccc.org/journal-club...
March 18, 2025 at 10:34 AM
Best practices #Journal_club from @mollart.bsky.social on the use (and abuse) of #continuum #solvent_models #compchem www.grynova-ccc.org/journal-club...
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
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...
doi.org
February 25, 2025 at 4:06 PM
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
Reposted by Catherine Mollart
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
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
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...
pubs.acs.org
January 31, 2025 at 3:30 PM
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
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
December 16, 2024 at 10:35 AM
Thank you to the HYMO-M2P organisers for their fantastic conference in Zagreb last week! @grynova.bsky.social #multiscale #theoreticalchem #modelling