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.
Back to reading and writing emails.
January 29, 2026 at 7:53 AM
Back to reading and writing emails.
My glasses are half broken since several months. I have an insurance that would cover most of the cost for the new glasses. I nevetheless have not managed to get new glasses.
January 28, 2026 at 7:57 PM
My glasses are half broken since several months. I have an insurance that would cover most of the cost for the new glasses. I nevetheless have not managed to get new glasses.
A reminder for myself:
What I am trying to avoid is investing my energy in negative thinking about my capabilities. Instead, I try to invest my time in how to get better.
What I am trying to avoid is investing my energy in negative thinking about my capabilities. Instead, I try to invest my time in how to get better.
January 28, 2026 at 5:45 AM
A reminder for myself:
What I am trying to avoid is investing my energy in negative thinking about my capabilities. Instead, I try to invest my time in how to get better.
What I am trying to avoid is investing my energy in negative thinking about my capabilities. Instead, I try to invest my time in how to get better.
When you want to sleep longer amd are awake at 4 am. 🙃
January 28, 2026 at 4:15 AM
When you want to sleep longer amd are awake at 4 am. 🙃
Someone recently thought I was not even 30.
😅
😅
January 25, 2026 at 9:31 AM
Someone recently thought I was not even 30.
😅
😅
My fav reviewer comment recently: "Many people in the field are working on accelerating materials property predicitions. Therefore, it is not novel"
January 19, 2026 at 4:37 AM
My fav reviewer comment recently: "Many people in the field are working on accelerating materials property predicitions. Therefore, it is not novel"
Reposted by Janine George
We had a guest in the lab today, Friederike Wunsch!
Thanks for the visit and the nice exchange about MD simulations, GPCRs and all the things in between!
#compchem
With @farzinsohraby.bsky.social
Thanks for the visit and the nice exchange about MD simulations, GPCRs and all the things in between!
#compchem
With @farzinsohraby.bsky.social
January 15, 2026 at 3:07 PM
We had a guest in the lab today, Friederike Wunsch!
Thanks for the visit and the nice exchange about MD simulations, GPCRs and all the things in between!
#compchem
With @farzinsohraby.bsky.social
Thanks for the visit and the nice exchange about MD simulations, GPCRs and all the things in between!
#compchem
With @farzinsohraby.bsky.social
If something is unfair, you have to say it. Otherwise, it will never change.
Fairness is one my my core values.
Fairness is one my my core values.
January 14, 2026 at 9:52 AM
If something is unfair, you have to say it. Otherwise, it will never change.
Fairness is one my my core values.
Fairness is one my my core values.
Identifying Phase Transitions in Zeolitic Imidazolate Frameworks: Microscopic Insight from Molecular Simulations, our latest #compchem work on ZIF polymorphism #chemsky @chemrxiv.org doi.org/10.26434/che...
January 13, 2026 at 11:00 PM
I got a few reviews recently that were not useful at all. Any LLM would provide better feedback if prompted correctly.
January 9, 2026 at 8:54 AM
I got a few reviews recently that were not useful at all. Any LLM would provide better feedback if prompted correctly.
Reposted by Janine George
Is anyone looking to do a postdoc in Ireland to jumpstart an independent career? I'd love to support an application for the @researchireland.ie Pathway Programme.
Internal UCD deadline is February 4 2026, so please reach out sooner rather than later!
#postdocjobs #ireland #STEM 🧪 ⚗️ #compchem
Internal UCD deadline is February 4 2026, so please reach out sooner rather than later!
#postdocjobs #ireland #STEM 🧪 ⚗️ #compchem
Research Ireland Pathway Programme - Research Ireland
www.researchireland.ie
January 7, 2026 at 10:47 AM
Is anyone looking to do a postdoc in Ireland to jumpstart an independent career? I'd love to support an application for the @researchireland.ie Pathway Programme.
Internal UCD deadline is February 4 2026, so please reach out sooner rather than later!
#postdocjobs #ireland #STEM 🧪 ⚗️ #compchem
Internal UCD deadline is February 4 2026, so please reach out sooner rather than later!
#postdocjobs #ireland #STEM 🧪 ⚗️ #compchem
Tired of cli and shitty text logs.
Can you please build a good interface for your code?
Thanks.
Can you please build a good interface for your code?
Thanks.
January 8, 2026 at 8:10 AM
Tired of cli and shitty text logs.
Can you please build a good interface for your code?
Thanks.
Can you please build a good interface for your code?
Thanks.
And, another power outage in Berlin.
Great start of the year...
Great start of the year...
January 3, 2026 at 12:51 PM
And, another power outage in Berlin.
Great start of the year...
Great start of the year...
Personal goals for 2026:
- Meet up with friends regularly
- Keep on reading (science history, novels)
- Be more present and not lose myself in my tasks
- More actual materials searches
- More theory
- Learn more new things: one new programming language
- Meet up with friends regularly
- Keep on reading (science history, novels)
- Be more present and not lose myself in my tasks
- More actual materials searches
- More theory
- Learn more new things: one new programming language
December 31, 2025 at 1:24 PM
Personal goals for 2026:
- Meet up with friends regularly
- Keep on reading (science history, novels)
- Be more present and not lose myself in my tasks
- More actual materials searches
- More theory
- Learn more new things: one new programming language
- Meet up with friends regularly
- Keep on reading (science history, novels)
- Be more present and not lose myself in my tasks
- More actual materials searches
- More theory
- Learn more new things: one new programming language
I want to integrate pretained machine learned Hamiltonians for solids into our workflow software.
It's even hard to find an easy to install software for that ...
It's even hard to find an easy to install software for that ...
December 28, 2025 at 3:01 PM
I want to integrate pretained machine learned Hamiltonians for solids into our workflow software.
It's even hard to find an easy to install software for that ...
It's even hard to find an easy to install software for that ...
I believe that research progresses most rapidly when there is friction. Friction caused by different opinions and approaches. If there is too little friction, it is difficult to make progress. It requires people to engage deeply with a topic. This, in turn, requires an appropriate environment.
December 28, 2025 at 1:04 PM
I believe that research progresses most rapidly when there is friction. Friction caused by different opinions and approaches. If there is too little friction, it is difficult to make progress. It requires people to engage deeply with a topic. This, in turn, requires an appropriate environment.
This is extremely sad. We have to start seeing new technology as a chance and have to actively make sure it agrees with our democratic values.
I am tired of a country that tries to keep everything as it is while the world around us rapidly changes.
www.morgenpost.de/wirtschaft/a...
I am tired of a country that tries to keep everything as it is while the world around us rapidly changes.
www.morgenpost.de/wirtschaft/a...
Deutsche würden gerne Pausenknopf bei technologischer Entwicklung drücken
Auf einem anderen Planeten leben? Lieber nicht, sagen die Deutschen. Laut einer Umfrage geht ihnen schon der jetzige Wandel zu schnell.
www.morgenpost.de
December 28, 2025 at 10:14 AM
This is extremely sad. We have to start seeing new technology as a chance and have to actively make sure it agrees with our democratic values.
I am tired of a country that tries to keep everything as it is while the world around us rapidly changes.
www.morgenpost.de/wirtschaft/a...
I am tired of a country that tries to keep everything as it is while the world around us rapidly changes.
www.morgenpost.de/wirtschaft/a...
2 Review requests on the 28th on December. Uhm, maybe not.
December 28, 2025 at 7:29 AM
2 Review requests on the 28th on December. Uhm, maybe not.
Winter walk. 🚶🚶♀️🐕🚶♀️
December 26, 2025 at 3:28 PM
Winter walk. 🚶🚶♀️🐕🚶♀️
There is one point I have been thinking about a lot:
The balance between being fast and first vs. thorough and deep. We are usually very much leaning towards thorough and deep.
I don't want to do shallow research but staying current is also important.
(Holiday thoughts)
The balance between being fast and first vs. thorough and deep. We are usually very much leaning towards thorough and deep.
I don't want to do shallow research but staying current is also important.
(Holiday thoughts)
December 25, 2025 at 1:04 PM
There is one point I have been thinking about a lot:
The balance between being fast and first vs. thorough and deep. We are usually very much leaning towards thorough and deep.
I don't want to do shallow research but staying current is also important.
(Holiday thoughts)
The balance between being fast and first vs. thorough and deep. We are usually very much leaning towards thorough and deep.
I don't want to do shallow research but staying current is also important.
(Holiday thoughts)
I am finally roughly done with all tasks that are on my todo for early January. Or at least, I have a plan.
My head wasn't able to rest before I had a rough plan. Now, finally, I am able to relax. 🫠
My head wasn't able to rest before I had a rough plan. Now, finally, I am able to relax. 🫠
December 23, 2025 at 11:54 AM
I am finally roughly done with all tasks that are on my todo for early January. Or at least, I have a plan.
My head wasn't able to rest before I had a rough plan. Now, finally, I am able to relax. 🫠
My head wasn't able to rest before I had a rough plan. Now, finally, I am able to relax. 🫠
Reposted by Janine George
Something a little different for this pre-holiday weekend, as we roll towards the end of the year. I did this as part of my MSc thesis, to add a little variety to my hobby of "staring at molecules." #compchem
Code is on GitHub at: github.com/amacbride/sk...
Enjoy! Have a great holiday.
Code is on GitHub at: github.com/amacbride/sk...
Enjoy! Have a great holiday.
December 20, 2025 at 3:51 PM
Something a little different for this pre-holiday weekend, as we roll towards the end of the year. I did this as part of my MSc thesis, to add a little variety to my hobby of "staring at molecules." #compchem
Code is on GitHub at: github.com/amacbride/sk...
Enjoy! Have a great holiday.
Code is on GitHub at: github.com/amacbride/sk...
Enjoy! Have a great holiday.
Reposted by Janine George
All I want for Christmas is your feedback in our preprint!
Happy to share work from Daniil Lepikhov, Laura Sandner and me, where we show that including information from the enzyme-substrate interaction interface in deep learning models can improve the prediction of Michaelis constants. #compchem
Happy to share work from Daniil Lepikhov, Laura Sandner and me, where we show that including information from the enzyme-substrate interaction interface in deep learning models can improve the prediction of Michaelis constants. #compchem
December 20, 2025 at 12:50 PM
All I want for Christmas is your feedback in our preprint!
Happy to share work from Daniil Lepikhov, Laura Sandner and me, where we show that including information from the enzyme-substrate interaction interface in deep learning models can improve the prediction of Michaelis constants. #compchem
Happy to share work from Daniil Lepikhov, Laura Sandner and me, where we show that including information from the enzyme-substrate interaction interface in deep learning models can improve the prediction of Michaelis constants. #compchem
Reposted by Janine George
What a year. 2025 has been really tough, but also full of progress: new PhD, 6 papers, a Leverhulme grant, invited talks, new collabs (and even a break‑in at the office…). Very grateful for my team and collaborators. Time to rest and reset for 2026! 🥳
#Chemistry #Research #AcademicLife #CompChem
#Chemistry #Research #AcademicLife #CompChem
December 19, 2025 at 2:58 PM
What a year. 2025 has been really tough, but also full of progress: new PhD, 6 papers, a Leverhulme grant, invited talks, new collabs (and even a break‑in at the office…). Very grateful for my team and collaborators. Time to rest and reset for 2026! 🥳
#Chemistry #Research #AcademicLife #CompChem
#Chemistry #Research #AcademicLife #CompChem