Jennie Martin

You would get an insane amount of toffee pennies I'll grant you 😆

Sadly I couldn't overcome the urge to excitedly pour scoopfulls into the tin. I think the dream option though would be to carefully pack the whole thing with green triangles 😆

Do you think the John Lewis staff would mind if I took the time close packing my chocolates for the "Fill your own quality street tin"? #chemsky #csp

Photo of pint of beer in foreground, river and the London Eye in background

And I can't get the train yet, so finishing up with pint in a pub on a boat

Photo of the enterance to the royal society of chemistry

Spent the day at Burlington House for the Joliot Curie Funding Workshop. It was a really engaging and interesting workshop, learned a lot about the intricacies and the top tips of applying for independent funding. Thanks to the organisers for putting it all together!
#chemsky

Congratulations @jennieemartin.bsky.social on this publication.

This work develops a similarity kernel for comparing molecular crystal structures, with evaluation on several ML tasks applied to CSP.

It's great to see this out now in Crystal Growth & Design @acs.org.

#chemSky #compChemSky

Photo of instrument and microphones on stage. Screen advertises The Bowie Experience

It's time for an evening of #Bowie! I think I did well on seat selection here

We developed a similarity kernel for molecular crystal structures and evaluated its potential in identifying stabilisbale structures from prediction sets, deriving interpretable machine learned descriptors via kPCA, & predicting relative energies of molecular crystal structures.

#compchem #chemsky

An Adapted Similarity Kernel and Generalized Convex Hull for Molecular Crystal Structure Prediction We adapted an existing approach to identifying stabilizable crystal structures from prediction sets─the Generalized Convex Hull (GCH)─to improve its application to molecular crystal structures. This w...

Really happy to see my PhD work now published in Crystal Growth & Design with @micheleceriotti.bsky.social and @graemeday.bsky.social

I worked on this through the whole PhD journey and its really nice to have it out and share it!

pubs.acs.org/doi/10.1021/...

#compchem #chemsky

Photo of autumnal forest model on table. Lots of loose leaves, and forest animals. Streetlights shine down on a path

Photo of autumn forest model with loose leaves, animals, pumpkin patches and a stream

Zoom in on part of an autumn forest model. Some squirrels sit on stumps next to a stepping stone trail

Happy Autumn, folks!

Bag of 50 small model squirrels, each clutching an acorn

I wanted a tiny squirrel for an autumn forest model. But I couldn't find what I wanted individually. What do I do with 50 miniature squirrels?!

Research Associate positions in Computational Chemistry, AI in Chemistry, and in Neurosymbolic Learning for Chemistry at Imperial College London An opportunity for an academic position as a Research Associate positions in Computational Chemistry, AI in Chemistry, and in Neurosymbolic Learning for Chemistry is available, as advertised on jobs.a...

🚨 Three PDRA posts @imperialchemistry.bsky.social with me + collaborators to transform materials discovery.

Focus:
💻 Comp Chem
🤖 AI in Chem
🧠 Neurosymbolic Learning

🗓️ Apply by 11 Nov 2025
🔗 jobs.ac.uk/job/DPB378 (click "Apply" to find individual post details)

#chemsky #compchem #chempostdoc

Photo of cooked moussaka in dish

Photo of moussaka portion and cucumber, feta, and mint salad on plate

We've reached the season for warming dishes, so I made my first attempt at a quorn version of moussaka. Didn't nail the presentation, but it tastes good.

I'm trying to ignore the absolute havoc and devastation of my tiny kitchen right now
#chemistswhocook

Glass of dark pink/red beer and can beside it called 'winter Berry crumble'

Happy weekend, folks!

Time to set aside work for the evening, and I've decided October is late enough to crack open the winter beer.

Wow, that is particularly striking. I love it!

I might have to try it out. A G&T is definitely a good idea though

Do you reckon it's too dilute to maintain flavour? Because what I'm learning is that I should make a bright 'radioactive' fruit salad for halloween 😆

Photo of small wooden sign saying "I have a crystal for that"

Not sure this was intended as a materials discovery sign... but it is now #chemsky #compchemsky

Photo of closed ice cream booth with sign declaring the ice cream is served by a robot

Not to be all 'woe is me', but the robot ice cream machine in Brighton is closed and this is a frankly devastating blow

Student perceptions of an open-source smart worksheet for automated student assessment and feedback built using python - Discover Education Smart worksheets are an emerging educational technology that supports self-directed learning and provides targeted feedback on student assessment, while also reducing staff marking workload. However, their adoption may be limited by high cost, limited flexibility, and proprietary ownership. This study presents the design, implementation, and evaluation of an open-source smart worksheet developed using Python. This worksheet provides a flexible, interactive platform for performing calculations, analysing data, and receiving real-time feedback. It supports automated grading, dynamic content updates and graphical data analysis. Student feedback indicates high satisfaction with the worksheet’s ability to enhance conceptual understanding and streamline the analysis process, demonstrating that students perceive similar learning benefits to commercial alternatives. Importantly, its open-source nature ensures adaptability across academic disciplines, enabling its use in diverse educational contexts to support assessment, feedback, and self-directed learning.

🧪 Published in @springernature.com Discover Education!
#OpenSource smart worksheet for automated #assessment & #feedback built using #Python

📎 Open-access: rdcu.be/eJfcM

Smart worksheets = faster feedback, better engagement, and reduced marking load.

#EdTech #STEM #HigherEd #ChemSky #iTeachChem

Photo of sign for Hilsea lines and for a studio and Café

Photo of long brick tunnel

Photo of swans on river

Today's fun discovery is a cafe/bar/recording studios inside Bastion 4 of the Hilsea Lines, surrounded by a mix of woodland and old fortifications. Great little Sunday jaunt and did good hot chocolate

Please enjoy today, 25/9/2025, the last square date until 2116 (5^2/3^2/45^2).

Just about ready for our first workshop on mol-cspy: our source software for crystal structure prediction
gitlab.com/mol-cspy/mol...
A massive thank you to the research team in getting material together for this.
#compchemsky #chemsky

Job Klaxon!

Science Museum is looking for a Curator of Chemistry.

Job Details
Salary - £41,177.63
Full Time
London
Deadline - 29/09/2025
ce0111li.webitrent.com/ce0111li_web...

Interesting computational(ish?) fact I learned today: Some specific PSP games can't save to larger memory cards. With e.g 4GB of space, they declare you have less than, say, 128 kB & won't save.

All I wanted was to play Lego Star Wars on PSP in 2025, can't believe they didn't plan ahead for me 😆

Banner for CompChem 2025 conference

Photo of Mural on wall at University of Naples Federico II

Photo of interesting horseshoe shaped building and hill in background

Photo of SSC Napoli stadium

All finished now at #EuChemS CompChem2025 and back home again. Had a great time hearing a wide range of interesting talks and lots of good chats at breaks & poster sessions 🧪🖥️

Very cool to see Italy & indulge in all the food too 🍝

It'll soon be time to try and decipher all my notes!

#CompChemSky

I had a fantastic time at the #MMMHub conference this week. I had some really great conversations!

Thank you to all the attendees who voted me runner up for the best poster prize.

I hope to come back next time to talk about even more innovations in crystal structure prediction!

Photograph of a robotic ice-cream kiosk in Shanghai

On my way to an AI for chemistry conference, but time for a quick AI for ice-cream detour🍦#ChemSky

Photo of box of tiny lights, some lit up blue - title says cosmic rays live

Photo of box of tiny lights, some lit up blue - title says cosmic rays live. Lights that are on are different to last photo

Photo of metro station with tiny blue and white tiles creating starry sky like patterns

Detour to pretty metro station (Toledo, Naples) came with bonus unexpected science 🧪 with some cosmic rays. Maybe more astrophysics than chemistry, but I feel #chemsky folks would enjoy it

Photo of football stadium

SSC Napoli are playing Manchester City right now. Napoli's home stadium is about 30 seconds from my hotel...But unfortunately they're playing in Manchester 😆