Janine George
@molecularxtal.bsky.social
Computational Chemist. 🦀🐍 Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
Pinned
Janine George
@molecularxtal.bsky.social
· Nov 13
Hi #Chemsky, hi #compchem
Time for an re-introduction. I am Janine. I work on materials informatics topics @bamresearch.bsky.social and @uni-jena.de . I mostly work from Berlin.
We (my awesome research group and I) try to connect quantum-chemical bonding descriptors with materials properties.
Time for an re-introduction. I am Janine. I work on materials informatics topics @bamresearch.bsky.social and @uni-jena.de . I mostly work from Berlin.
We (my awesome research group and I) try to connect quantum-chemical bonding descriptors with materials properties.
My favorite expression in German when I am really unhappy: "Das ist schwierig".
My train neighbor has also just used this expression to clearly say she hates a suggestion 😅.
My train neighbor has also just used this expression to clearly say she hates a suggestion 😅.
November 27, 2025 at 9:19 AM
My favorite expression in German when I am really unhappy: "Das ist schwierig".
My train neighbor has also just used this expression to clearly say she hates a suggestion 😅.
My train neighbor has also just used this expression to clearly say she hates a suggestion 😅.
Reposted by Janine George
At Burlington House today for the Materials Chemistry Poster Symposium to show our work on a new sampling method for molecular CSP and hear what other interesting research is going on. Looking forward to it!
#compchemsky #chemsky
#compchemsky #chemsky
November 25, 2025 at 9:23 AM
At Burlington House today for the Materials Chemistry Poster Symposium to show our work on a new sampling method for molecular CSP and hear what other interesting research is going on. Looking forward to it!
#compchemsky #chemsky
#compchemsky #chemsky
Reposted by Janine George
A new preprint from our team @unisouthampton.bsky.social
Can machine learning predict the space group preference of organic molecules?
Work by Hannah Gittins exploring random forest and graph neural network models to predict space group preferences of organic molecules.
doi.org/10.26434/che...
Can machine learning predict the space group preference of organic molecules?
Work by Hannah Gittins exploring random forest and graph neural network models to predict space group preferences of organic molecules.
doi.org/10.26434/che...
November 26, 2025 at 8:27 AM
A new preprint from our team @unisouthampton.bsky.social
Can machine learning predict the space group preference of organic molecules?
Work by Hannah Gittins exploring random forest and graph neural network models to predict space group preferences of organic molecules.
doi.org/10.26434/che...
Can machine learning predict the space group preference of organic molecules?
Work by Hannah Gittins exploring random forest and graph neural network models to predict space group preferences of organic molecules.
doi.org/10.26434/che...
I am a bad chemist, a bad materials scientist, a bad physicist and a bad computational scientist. 🫠
November 26, 2025 at 8:17 AM
I am a bad chemist, a bad materials scientist, a bad physicist and a bad computational scientist. 🫠
Really Happy that I quit Instagram. 😅
November 25, 2025 at 10:34 PM
Really Happy that I quit Instagram. 😅
Reposted by Janine George
#chemsky #compchemsky
We updated the web page for our Theory Training Workshop, November 21/22, 2025, with several IMO really useful materials, almost to completion:
hybrid3.duke.edu/workshops/20...
The talks were remarkable, as were the tutorials. HUGE thanks to all speakers and tutors!
We updated the web page for our Theory Training Workshop, November 21/22, 2025, with several IMO really useful materials, almost to completion:
hybrid3.duke.edu/workshops/20...
The talks were remarkable, as were the tutorials. HUGE thanks to all speakers and tutors!
2025 HybriD3 Materials Theory Training Workshop
The 2025 HybriD3 Theory Training Workshop will be held at Duke University on November 21 and 22, 2025. The workshop is aimed at graduate students and postdocs entering the field; senior undergraduate ...
hybrid3.duke.edu
November 24, 2025 at 2:39 AM
#chemsky #compchemsky
We updated the web page for our Theory Training Workshop, November 21/22, 2025, with several IMO really useful materials, almost to completion:
hybrid3.duke.edu/workshops/20...
The talks were remarkable, as were the tutorials. HUGE thanks to all speakers and tutors!
We updated the web page for our Theory Training Workshop, November 21/22, 2025, with several IMO really useful materials, almost to completion:
hybrid3.duke.edu/workshops/20...
The talks were remarkable, as were the tutorials. HUGE thanks to all speakers and tutors!
Thinking further about the 1920-1930s in Berlin: it was a challenging economic time.
November 23, 2025 at 7:32 PM
Thinking further about the 1920-1930s in Berlin: it was a challenging economic time.
It's so cold. 🙃
Perfect time to read the manuscripts that I wanted to finish.
Perfect time to read the manuscripts that I wanted to finish.
November 23, 2025 at 3:21 PM
It's so cold. 🙃
Perfect time to read the manuscripts that I wanted to finish.
Perfect time to read the manuscripts that I wanted to finish.
Spent two hours in one of Berlin's libraries and read nearly 150 pages of a new Leo Szilard Biography.
Reading about 1920-1933 Berlin keeps being fascinating and sad at the same time.
Also: I do love seeing the TV Tower.
Reading about 1920-1933 Berlin keeps being fascinating and sad at the same time.
Also: I do love seeing the TV Tower.
November 22, 2025 at 5:59 PM
Spent two hours in one of Berlin's libraries and read nearly 150 pages of a new Leo Szilard Biography.
Reading about 1920-1933 Berlin keeps being fascinating and sad at the same time.
Also: I do love seeing the TV Tower.
Reading about 1920-1933 Berlin keeps being fascinating and sad at the same time.
Also: I do love seeing the TV Tower.
Sometimes I am too fast and too rude. 🙃 Especially in English. Sorry people!
November 20, 2025 at 4:32 PM
Sometimes I am too fast and too rude. 🙃 Especially in English. Sorry people!
Today, I walked against a door (yes, one can see it) and bit on my lip.
November 19, 2025 at 7:29 PM
Today, I walked against a door (yes, one can see it) and bit on my lip.
I regularily fail to re-recognize people at conferences. 👀
Sorry but my brain cannot cope.
Sorry but my brain cannot cope.
Redirecting...
fail.to
November 18, 2025 at 8:36 AM
I regularily fail to re-recognize people at conferences. 👀
Sorry but my brain cannot cope.
Sorry but my brain cannot cope.
There is always some truth to a bad hotel review.
Great, of course, if the budget allows you to choose between "smells like smoke and a bit dirty" and "dirty". 😅
Since I stayed in an extremely dirty hotel room where only the sheets looked clean in Brussels, I tend to get a bit obsessive.
Great, of course, if the budget allows you to choose between "smells like smoke and a bit dirty" and "dirty". 😅
Since I stayed in an extremely dirty hotel room where only the sheets looked clean in Brussels, I tend to get a bit obsessive.
November 17, 2025 at 6:54 PM
There is always some truth to a bad hotel review.
Great, of course, if the budget allows you to choose between "smells like smoke and a bit dirty" and "dirty". 😅
Since I stayed in an extremely dirty hotel room where only the sheets looked clean in Brussels, I tend to get a bit obsessive.
Great, of course, if the budget allows you to choose between "smells like smoke and a bit dirty" and "dirty". 😅
Since I stayed in an extremely dirty hotel room where only the sheets looked clean in Brussels, I tend to get a bit obsessive.
I started reading for fun again. Let's see how many days it will last. 😅
Just two more talks, a PhD thesis and 5 papers until Christmas. 🙃
Just two more talks, a PhD thesis and 5 papers until Christmas. 🙃
November 16, 2025 at 9:45 PM
I started reading for fun again. Let's see how many days it will last. 😅
Just two more talks, a PhD thesis and 5 papers until Christmas. 🙃
Just two more talks, a PhD thesis and 5 papers until Christmas. 🙃
Found this shoe yesterday. It's tree-cutting season in Berlin and there seem to be a lot of shoes on Berlin's trees. 👀
November 16, 2025 at 7:05 PM
Found this shoe yesterday. It's tree-cutting season in Berlin and there seem to be a lot of shoes on Berlin's trees. 👀
Draining week. Happy to meet some friends.
🌮
🌮
November 15, 2025 at 11:14 AM
Draining week. Happy to meet some friends.
🌮
🌮
What a day.
Just now helped an older woman who fell to get help. Stopped a guy to help her up. 😬 Nothing hurt, she said.
Just now helped an older woman who fell to get help. Stopped a guy to help her up. 😬 Nothing hurt, she said.
November 14, 2025 at 5:31 PM
What a day.
Just now helped an older woman who fell to get help. Stopped a guy to help her up. 😬 Nothing hurt, she said.
Just now helped an older woman who fell to get help. Stopped a guy to help her up. 😬 Nothing hurt, she said.
Reposted by Janine George
I can’t believe this monumental paper has finally been published! Congrats to all the very many brilliant researchers involved, including @molecularxtal.bsky.social and @jrkermode.co.uk 😃 What an exciting step in computational chemistry this represents!
pubs.aip.org/aip/jcp/arti...
pubs.aip.org/aip/jcp/arti...
A foundation model for atomistic materials chemistry
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the worl
pubs.aip.org
November 14, 2025 at 9:31 AM
I can’t believe this monumental paper has finally been published! Congrats to all the very many brilliant researchers involved, including @molecularxtal.bsky.social and @jrkermode.co.uk 😃 What an exciting step in computational chemistry this represents!
pubs.aip.org/aip/jcp/arti...
pubs.aip.org/aip/jcp/arti...
Me trying to get feedback on papers in a world where too many papers exist.
November 12, 2025 at 7:14 PM
Me trying to get feedback on papers in a world where too many papers exist.
Reposted by Janine George
I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community.
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
November 11, 2025 at 1:44 PM
I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community.
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace.
#compchemsky (in case any FHI-aims users are there)
Just got the notification: 50 Years of the "Horses".
It's probably one of my favorite music albums ever. Released only 14 years before I was born.
It's probably one of my favorite music albums ever. Released only 14 years before I was born.
November 11, 2025 at 6:25 PM
Just got the notification: 50 Years of the "Horses".
It's probably one of my favorite music albums ever. Released only 14 years before I was born.
It's probably one of my favorite music albums ever. Released only 14 years before I was born.
Reposted by Janine George
🎓 Applications are open for the IMAT Centre for Doctoral Training at @oxfordchemistry.bsky.social & @oxfordmaterials.bsky.social!
Among many exciting topics, have a look at our projects P10 and P13, both combining MLIPs and #compchem with close experimental collaborations: imatcdt.chem.ox.ac.uk
Among many exciting topics, have a look at our projects P10 and P13, both combining MLIPs and #compchem with close experimental collaborations: imatcdt.chem.ox.ac.uk
Home | IMAT CDT
imatcdt.chem.ox.ac.uk
November 11, 2025 at 11:29 AM
🎓 Applications are open for the IMAT Centre for Doctoral Training at @oxfordchemistry.bsky.social & @oxfordmaterials.bsky.social!
Among many exciting topics, have a look at our projects P10 and P13, both combining MLIPs and #compchem with close experimental collaborations: imatcdt.chem.ox.ac.uk
Among many exciting topics, have a look at our projects P10 and P13, both combining MLIPs and #compchem with close experimental collaborations: imatcdt.chem.ox.ac.uk
I have a friend. When I speak with her, my spoken English gets a lot better. It's so interesting.
But it doesn't stick. 😅
But it doesn't stick. 😅
November 9, 2025 at 3:54 PM
I have a friend. When I speak with her, my spoken English gets a lot better. It's so interesting.
But it doesn't stick. 😅
But it doesn't stick. 😅
Falling asleep on a Saturday at 7 pm. 🙃
November 8, 2025 at 9:04 PM
Falling asleep on a Saturday at 7 pm. 🙃
Reposted by Janine George
Reminder that the deadline to apply to these PDRA positions is 11th November.
🚨 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
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
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...
jobs.ac.uk
November 7, 2025 at 10:09 AM
Reminder that the deadline to apply to these PDRA positions is 11th November.