Digichem
@DigichemProject
Official twitter page for the Digichem Project; a new way to manage computational chemistry. https://digi-chem.co.uk/
We are very excited to announce the release version of Digichem 7.0 🎉 To celebrate, we're offering 1 month completely free to all new users. Head to digi-chem.co.uk/get-started-ye… to manage your computational chemistry workflow and accelerate your research #digichem
On today's episode of🔎Digiwatch:🔎 A very cool paracyclophane bridged emitter for circularly polarised light from the Pal, Zhang, and Zysman-Colman groups. Featuring Digichem powered calculations of electronic excited states, read the full paper here: zurl.co/kKUKK
Out now: Digichem 7.0.3! This minor bugfix version fixes the default rendering engine being set to VMD (even when it wasn't available). The #Blender based Batoms renderer is now correctly set as the default, but of course you can manually change if you like (see attached image).
When scientists talk about molecules 'inspired by nature', this isn't normally what they mean! Named 'Sulflower' for it's resemblance to the plant, rather than being harvested from it, we still couldn't resist taking a closer look! Rendered with #digichem 7 and #blender.
We're big 'fans' of this little molecule! Part of the propellane family, so called because of their resemblance to aircraft propellers, we take a sneak peak at this one's FMOs. Rendered with #digichem 7 and #blender
On today's episode of🔎Digiwatch:🔎 New methods for increasing k(RISC) in OLED emitters while maintaining both colour purity and efficiency! Read about this collaboration between the @ezc_group and Lu groups using Digichem powered computations here: doi.org/10.1002/anie.2…
Afternoon Digichemers! Just a quick announcement that version 7.0.0-pre.24 has just been released to address an issue when uploading input files on Windows machines. Your GUI should install the new update automatically when you next log in 😎
A few screens from the recent GUI update demonstrating the new settings page. Particularly excited to have automated updates for the backend implemented in this version!
Releasing today: the next version of the Digichem GUI, bringing a whole bunch of new features, stability patches and bugfixes. Sign-up now to get your copy: digi-chem.co.uk/get-started
Congrats all! Great to see Digichem helping to power more research into OLED emitters💡
Congratulations to @SenWu11 @DongyangC, and Mathilde for their paper accepted in @ChemicalScience.rsc.org (dx.doi.org/10.1039/D5SC03…) that documents the smallest 3-boron-containing #mrtadf emitter and its use in #oleds.
Delighted to announce that the Digichem 7 open beta is here! This version of the program is the first to feature our new desktop GUI, giving you the option to totally ditch the command line if you want. Sign up now for the free beta! digi-chem.co.uk/get-started
Always wanted to try out computational chemistry but not sure where to start? Well good news! Digichem 6.9 is here and brings full support for the open-source PySCF engine. Grab your copy from the friendliest build server around and start experimenting! github.com/Digichem-Proje…
🔎Spotted🔎 Check out this recent contribution from the @JeanneCrassous, Samuel, and @ezc_group groups on Se containing MR-TADF emitters in @angew_chem, showcasing some lovely Digichem powered NTO plots: doi.org/10.1002/anie.2…
On today's episode of🔎Digiwatch:🔎 Helping to unpack the mechanism behind photocatalysed bioimaging in this contribution from the @BraseStefan and @UteSchepers1 groups. Great to see Digichem involved in such fascinating research. Read the full paper here! doi.org/10.1039/D4CC03…
How shiny is too shiny? 😎 This experiment with beautiful atoms and #blender definitively proves there are diminishing returns when polishing your orbitals
Out now: Digichem 6.8! This release brings full support for the Blender based rendering engine, as well as big performance improvements for cube files. Get your copy now! (or whenever you're ready; it's not going anywhere😎) github.com/Digichem-Proje…
🔎Spotted: Digichem in the wild🔎 This collaboration between the @ezc_group and @TariqSajjad1 is a great showcase of Digichem's utility for excited states calculations (don't those density plots look crisp😎), check out the full paper here! doi.org/10.1002/asia.2…
Another sneak-peak of the rendering capabilities of the upcoming Digichem 6.8 release (scheduled for next week, but make sure to stay tuned for more details!). Modelling for us today is the TADF emitter 4CzIPN. #tadf #blender
Testing some new rendering settings for the upcoming Digichem 6.8, ft. our old friend Benzene. Possibly gone a bit too glossy with the isosurfaces, they look worryingly edible! 😍 Rendered with #blender
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