Official twitter page for the Digichem Project; a new way to manage computational chemistry. https://xitter.cf/t.co/FRMZHNxeO6
Joined January 2024
- Tweets93
- Following35
- Followers97
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Digichem retweeted
Who knew they made grips in Digichem colours?! @karakaluk sponsorship when please 😍
Digichem retweeted
When is a geometry optimisation actually done?
Here's a scientist with another hot take: it depends! Read about how we're investigating this phenomenon with @DigichemProject here: linkedin.com/posts/oliver-le…
ALT A collection of graphs showing the different rates of convergence of various molecular properties
Digichem retweeted
Do molecules have a natural orientation?
We scientists certainly think so! But convincing a computer is much more complicated.
Here's some of the ways we're tackling this problem in @DigichemProject, read more here:
linkedin.com/posts/oliver-le…
Digichem retweeted
Congratulations to @Janine_812, @SenWu11, and @FatahiMahni for their paper accepted in Adv. Optical Mater. @AdvPortfolio (dx.doi.org/10.1002/adom.2025…) on spirofluorene-decorated #dikta in collab w/@braeselab & the group of Ifor Samuel. @StAndrewsChem @StAndrewsOsc @TADFSolutionsDF
Digichem retweeted
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 @DigichemProject. Check out @oli_s_lee's paper in @digital_rsc (http://dx.doi.org10.1039/D4DD00147H). @StAndrewsChem @TheGatherLab @StAndrewsOsc
Digichem retweeted
Check out our latest in @ChemRxiv (doi.org/10.26434/chemrxiv-20…) from Oli @oli_s_lee that introduces Digichem @DigichemProject, an automated workflow engine for managing computations. @StAndrewsChem @StAndrewsOsc @TheGatherLab