@digichem.bsky.social
Official twitter page for the Digichem Project; a new way to manage computational chemistry. https://digi-chem.co.uk/
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).
07.11.2025 13:00 — 👍 0 🔁 0 💬 0 📌 0
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.
05.11.2025 13:00 — 👍 2 🔁 1 💬 0 📌 0
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
31.10.2025 12:01 — 👍 1 🔁 1 💬 0 📌 0
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.bsky.social and Lu groups using Digichem powered computations here: doi.org/10.1002/anie...
22.10.2025 11:23 — 👍 1 🔁 1 💬 0 📌 0
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-... to manage your computational chemistry workflow and accelerate your research #digichem
02.10.2025 12:14 — 👍 2 🔁 1 💬 0 📌 1
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 😎
23.09.2025 13:19 — 👍 1 🔁 1 💬 0 📌 0
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!
05.09.2025 11:22 — 👍 1 🔁 1 💬 0 📌 0
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
02.09.2025 14:50 — 👍 0 🔁 0 💬 0 📌 0Congrats all! Great to see Digichem helping to power more research into OLED emitters💡
05.08.2025 15:10 — 👍 1 🔁 0 💬 0 📌 0
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
22.07.2025 08:37 — 👍 1 🔁 1 💬 0 📌 0
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-Pro...
15.07.2025 15:05 — 👍 1 🔁 1 💬 0 📌 0
🔎Spotted🔎 Check out this recent contribution from the
@jeannecrassousiscr.bsky.social , Samuel, and @ezc-group.bsky.social groups on Se containing MR-TADF emitters in
@angewandtechemie.bsky.social, showcasing some lovely Digichem powered NTO plots: doi.org/10.1002/anie...
Check out two old friends that have just been added to the gallery page: digi-chem.co.uk/gallery
02.07.2025 14:55 — 👍 1 🔁 1 💬 0 📌 0
On today's episode of🔎Digiwatch:🔎 Helping to unpack the mechanism behind photocatalysed bioimaging in this contribution from the Bräse and Schepers groups. Great to see Digichem involved in such fascinating research. Read the full paper here! doi.org/10.1039/D4CC...
17.06.2025 08:47 — 👍 1 🔁 1 💬 0 📌 0
How shiny is too shiny? 😎 This experiment with beautiful atoms and #blender definitively proves there are diminishing returns when polishing your orbitals
12.06.2025 16:20 — 👍 3 🔁 1 💬 0 📌 0
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-Pro...
06.06.2025 13:58 — 👍 1 🔁 0 💬 0 📌 0
🔎Spotted: Digichem in the wild🔎 This collaboration between the @ezc-group.bsky.social and Tariq Sajjad 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...
04.06.2025 15:53 — 👍 1 🔁 1 💬 0 📌 0
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
30.05.2025 14:38 — 👍 6 🔁 2 💬 0 📌 0
A render of the molecule benzene
A render of the molecule benzene and its HOMO
A render of the molecule benzene and its LUMO
A render of the molecule benzene and its SCF electron density
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
27.05.2025 12:04 — 👍 1 🔁 1 💬 0 📌 0
Setting up a calculation is only half the battle. Often more of a Scientist's time can be spent analysing the results. To see how we tackle this in Digichem, check out our new gallery (digi-chem.co.uk/gallery), a mini showcase of Digichem's auto reporting feature!
23.05.2025 16:01 — 👍 0 🔁 0 💬 0 📌 0
Delighted to announce the new home of Digichem on the web! Sign-up now so you don't miss a thing: digi-chem.co.uk/get-started
09.05.2025 15:13 — 👍 0 🔁 0 💬 0 📌 0
Releasing today: the next hottest Digichem version! Version 6.7 brings full support for Orca 6, as well as the usual bugfixes and feature improvements. Get yours now! (You'll make buildboy's day: github.com/Digichem-Pro...).
29.04.2025 11:08 — 👍 1 🔁 0 💬 0 📌 0
