Kristaps Ermanis

Old floppy drive with printed label 'Works, but makes Sad Noises'

Got my performance review.

27.09.2025 15:52 — 👍 14678    🔁 3158    💬 77    📌 107

Meet the non-doms fighting Rachel Reeves’s tax raid With chancellor planning tax shake-up in this month’s Budget, Foreign Investors for Britain is trying to affect debate

It's a tax "raid". When you or I pay our income tax it's just a tax. But when a fabulously wealthy millionaire who refuses to contribute to the country whose public services they use (and yes, they use roads, defence, police etc) it's a "raid".
www.ft.com/content/8882...

14.08.2025 08:34 — 👍 369    🔁 137    💬 12    📌 6

I think you might need a kind word with your HPC keepers - I'd struggle with less than 1TB (DFT frequency calcs eat a lot of space...)

13.08.2025 23:03 — 👍 0    🔁 0    💬 1    📌 0

OK #chemsky do your thing. I have an immediate PhD vacancy working on a MOF / crystallography / electron diffraction project with Syngenta. Home fees and stipend are covered. Spread the word!

27.11.2024 18:46 — 👍 76    🔁 68    💬 3    📌 3

Action Intent Links | Bluesky Authors, websites, and apps can use action intent links to implement "Share on Bluesky" buttons, or similar in-app actions. Logged-in users will be directed to the corresponding action view in the Blu...

We strongly suggest that academic publishers and other platforms that host research rapidly implement a Share to Bluesky button for their articles. Here's how:

docs.bsky.app/docs/advance...

#AcademicSky #HigherEd #Altmetrics

18.11.2024 14:48 — 👍 11402    🔁 4609    💬 168    📌 248

go.bsky.app/Qc4frbt

Made a starter pack for computational chemists, let me know who I missed please

@jchodera.bsky.social
@olexandr.bsky.social
@jelfschem.bsky.social

12.11.2024 14:17 — 👍 139    🔁 59    💬 108    📌 4

University of Reading proposes closing its chemistry department next year The university joins several others that are considering the future of their departments and undergraduate programmes

Chemistry degrees have some of the highest values of any degree and are vital if we want to build a competitive high-tech nation. But they are expensive, and so if universities want to save money quickly they will just ignore national priorities and close them.
www.chemistryworld.com/news/univers...

18.11.2024 12:44 — 👍 210    🔁 92    💬 20    📌 17

A starter pack on the molecular theoretical quantum world.

#compchem #molphys #theochem 🧪

go.bsky.app/UGFPoE2

16.11.2024 22:13 — 👍 107    🔁 30    💬 31    📌 1

For all the new #ChemSky people, this is potentially useful (with caveats that big accounts don't always mean *good to follow* of course, but the tool has an alternative option there...).

18.11.2024 12:19 — 👍 16    🔁 5    💬 1    📌 1

RFam design method

Activity characterization

Characterization of A1 activity.

The Baker lab seems serious about moving into enzyme design.

Here, they train a flow-matching model that can be conditioned by atomic coordinates and then use it to design enzymes based on active site geometry specified by density functional theory.

www.biorxiv.org/content/10.1...

15.11.2024 22:11 — 👍 152    🔁 40    💬 6    📌 3

Ermanis Research Group Dr Kristaps Ermanis research group website - all about our research, publications and opportunities to join us!

Please could you add me? Thank you!
ermanisgroup.org

16.11.2024 11:39 — 👍 1    🔁 0    💬 1    📌 0