Oliver Lee
@oliver-s-lee.bsky.social
๐ค 8
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Chief project wrangler at
@digichem.bsky.social
reposted by
Oliver Lee
Digichem
3 days ago
We are very excited to announce the release version of Digichem 7.0 ๐ 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
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reposted by
Oliver Lee
Digichem
12 days ago
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 ๐
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reposted by
Oliver Lee
Digichem
about 1 month ago
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!
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reposted by
Oliver Lee
Digichem
3 months ago
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
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reposted by
Oliver Lee
Digichem
3 months ago
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...
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reposted by
Oliver Lee
Digichem
3 months ago
๐Spotted๐ 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...
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reposted by
Oliver Lee
Digichem
3 months ago
Check out two old friends that have just been added to the gallery page:
digi-chem.co.uk/gallery
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reposted by
Oliver Lee
Digichem
4 months ago
On today's episode of๐Digiwatch:๐ Helping to unpack the mechanism behind photocatalysed bioimaging in this contribution from the Brรคse and Schepers groups. Great to see Digichem involved in such fascinating research. Read the full paper here!
doi.org/10.1039/D4CC...
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reposted by
Oliver Lee
Digichem
4 months ago
How shiny is too shiny? ๐ This experiment with beautiful atoms and
#blender
definitively proves there are diminishing returns when polishing your orbitals
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reposted by
Oliver Lee
Digichem
4 months ago
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
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reposted by
Oliver Lee
Digichem
4 months ago
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! ๐ Rendered with
#blender
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