Digichem (@digichemproject) 's Twitter Profile
Digichem

@digichemproject

Official twitter page for the Digichem Project; a new way to manage computational chemistry.

ID: 1749716164144484352

calendar_today23-01-2024 08:50:23

20 Tweet

63 Followers

33 Following

Digichem (@digichemproject) 's Twitter Profile Photo

Can't sleep because you didn't get a chance to see the Digichem poster at last week's ScotChem symposium? Well fear no more, the poster's now available in convenient electronic format. For serious Digichemers only.

Can't sleep because you didn't get a chance to see the Digichem poster at last week's <a href="/CHEMScot/">ScotChem</a> symposium? Well fear no more, the poster's now available in convenient electronic format. For serious Digichemers only.
Digichem (@digichemproject) 's Twitter Profile Photo

A sneak peak at a new feature coming soon (ish) in Digichem 7. What on earth could it be? Whatever it is, head Digichemer Oliver Lee reckons there's some exploitable symmetry. You don't say...

A sneak peak at a new feature coming soon (ish) in Digichem 7. What on earth could it be? Whatever it is, head Digichemer <a href="/oli_s_lee/">Oliver Lee</a> reckons there's some exploitable symmetry. You don't say...
EZ-C Group (@ezc_group) 's Twitter Profile Photo

If you wanted to do computations but needed help, this is the paper for you, which has the solution for you in our software Digichem Digichem. Check out Oliver Lee's paper in Digital Discovery (http://dx.doi.org10.1039/D4DD00147H). St Andrews School of Chemistry GatherLab St_Andrews_OSC

If you wanted to do computations but needed help, this is the paper for you, which has the solution for you in our software Digichem <a href="/DigichemProject/">Digichem</a>. Check out <a href="/oli_s_lee/">Oliver Lee</a>'s paper in <a href="/digital_rsc/">Digital Discovery</a> (http://dx.doi.org10.1039/D4DD00147H).  <a href="/StAndrewsChem/">St Andrews School of Chemistry</a> <a href="/TheGatherLab/">GatherLab</a> <a href="/StAndrewsOsc/">St_Andrews_OSC</a>
Digichem (@digichemproject) 's Twitter Profile Photo

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

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
Digichem (@digichemproject) 's Twitter Profile Photo

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…

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…
Digichem (@digichemproject) 's Twitter Profile Photo

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…

Digichem (@digichemproject) 's Twitter Profile Photo

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…).

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…).
Digichem (@digichemproject) 's Twitter Profile Photo

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

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
Digichem (@digichemproject) 's Twitter Profile Photo

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!

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!
Digichem (@digichemproject) 's Twitter Profile Photo

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

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
Digichem (@digichemproject) 's Twitter Profile Photo

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

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
Digichem (@digichemproject) 's Twitter Profile Photo

🔎Spotted: Digichem in the wild🔎 This collaboration between the EZ-C Group 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.2…

🔎Spotted: Digichem in the wild🔎 This collaboration between the <a href="/ezc_group/">EZ-C Group</a> and <a href="/TariqSajjad1/">Tariq Sajjad</a> 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…
Digichem (@digichemproject) 's Twitter Profile Photo

How shiny is too shiny? 😎 This experiment with beautiful atoms and #blender definitively proves there are diminishing returns when polishing your orbitals

How shiny is too shiny? 😎 This experiment with beautiful atoms and #blender definitively proves there are diminishing returns when polishing your orbitals
Digichem (@digichemproject) 's Twitter Profile Photo

On today's episode of🔎Digiwatch:🔎 Helping to unpack the mechanism behind photocatalysed bioimaging in this contribution from the Stefan Bräse and Ute Schepers groups. Great to see Digichem involved in such fascinating research. Read the full paper here! doi.org/10.1039/D4CC03…

On today's episode of🔎Digiwatch:🔎 Helping to unpack the mechanism behind photocatalysed bioimaging in this contribution from the <a href="/BraseStefan/">Stefan Bräse</a> and <a href="/UteSchepers1/">Ute Schepers</a> groups. Great to see Digichem involved in such fascinating research. Read the full paper here! doi.org/10.1039/D4CC03…
Digichem (@digichemproject) 's Twitter Profile Photo

🔎Spotted🔎 Check out this recent contribution from the JeanneCrassous@ISCR, Samuel, and EZ-C Group groups on Se containing MR-TADF emitters in Angewandte Chemie, showcasing some lovely Digichem powered NTO plots: doi.org/10.1002/anie.2…

🔎Spotted🔎 Check out this recent contribution from the <a href="/JeanneCrassous/">JeanneCrassous@ISCR</a>, Samuel, and <a href="/ezc_group/">EZ-C Group</a> groups on Se containing MR-TADF emitters in <a href="/angew_chem/">Angewandte Chemie</a>, showcasing some lovely Digichem powered NTO plots: doi.org/10.1002/anie.2…