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.
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.
Today, I found myself in a discussion with some participants who believed that all theoretical predictions were nonsense as they have not all be replicated in the lab.
Okay.
Okay.
November 4, 2025 at 6:06 PM
Today, I found myself in a discussion with some participants who believed that all theoretical predictions were nonsense as they have not all be replicated in the lab.
Okay.
Okay.
Academic life:
1 day conference in a different city, then another appointment the next day 😅.
That's the part I hate.
1 day conference in a different city, then another appointment the next day 😅.
That's the part I hate.
November 3, 2025 at 4:15 PM
Academic life:
1 day conference in a different city, then another appointment the next day 😅.
That's the part I hate.
1 day conference in a different city, then another appointment the next day 😅.
That's the part I hate.
Bus connections Berlin Dresden seem to be much better than the train connections.
November 1, 2025 at 9:53 PM
Bus connections Berlin Dresden seem to be much better than the train connections.
Reposted by Janine George
Meanwhile Halloween 🎃 #Halloween2025 in #Pittsburgh
November 1, 2025 at 7:50 PM
Meanwhile Halloween 🎃 #Halloween2025 in #Pittsburgh
My hobbies are so weird that I really don't have any small talk topics.
October 31, 2025 at 10:32 PM
My hobbies are so weird that I really don't have any small talk topics.
Reposted by Janine George
A new preprint and two firsts:
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study
Argyrodite-type Ag-based sulfides combine exceptionally low lattice thermal and high ionic conductivity, making them promising candidates for thermoelectric and solid-state energy applications. In thi...
arxiv.org
October 28, 2025 at 7:48 AM
A new preprint and two firsts:
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Reposted by Janine George
doi.org/10.1063/5.0288278 Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials. #compchem
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response prop
doi.org
October 29, 2025 at 1:18 PM
doi.org/10.1063/5.0288278 Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials. #compchem
I think I now have a way to describe what I am frustrated with in research: "Focusing too much on the adjacent possible."
October 29, 2025 at 3:25 PM
I think I now have a way to describe what I am frustrated with in research: "Focusing too much on the adjacent possible."
A new preprint and two firsts:
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study
Argyrodite-type Ag-based sulfides combine exceptionally low lattice thermal and high ionic conductivity, making them promising candidates for thermoelectric and solid-state energy applications. In thi...
arxiv.org
October 28, 2025 at 7:48 AM
A new preprint and two firsts:
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity!
Feedback welcome!
arxiv.org/abs/2510.23133
#compchem
Reposted by Janine George
Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin
October 25, 2025 at 7:04 PM
Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin
Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin
October 25, 2025 at 7:04 PM
Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin
So much software reuse is untracked as people cite the software in the SI or because there are upper limits to citations.
🙃
I have never understood this.
🙃
I have never understood this.
October 25, 2025 at 11:01 AM
So much software reuse is untracked as people cite the software in the SI or because there are upper limits to citations.
🙃
I have never understood this.
🙃
I have never understood this.
