Digichem @DigichemProject
Official twitter page for the Digichem Project; a new way to manage computational chemistry. https://t.co/FRMZHNxeO6 Joined January 2024-
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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!
Congrats all! Great to see Digichem helping to power more research into OLED emitters💡
Congrats all! Great to see Digichem helping to power more research into OLED emitters💡 https://t.co/HmuHUw7Sxs
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…
Check out two old friends that have just been added to the gallery page: digi-chem.co.uk/gallery
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…
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
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!
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
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-Proje…).
Happy Friday Digichemers! Releasing today is the minor bug fix version 6.6.3. Included is a fix for missing empirical dispersion in Orca, and a number of improvements to the setup program. Build-boy is ready to serve you now! github.com/Digichem-Proje…
Now available: builds of Digichem on all the hottest Linux distros! Included is the most recent flavour of Rocky Linux (9) and Debian versions 8 through 12. Get your copy while it's still hot! github.com/Digichem-Proje…
Back by popular (?) demand: It's chemistry up real close! This week we have a real hot treat, it's Capsaicin! This is the molecule that's largely responsible for the burning sensation produced by hot peppers. A remarkably potent effect from a relatively simple molecule. #CURC
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