Kjell Jorner
@valencekjell.com
Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own.
https://dcl.ethz.ch
https://www.valencekjell.com
https://dcl.ethz.ch
https://www.valencekjell.com
Reposted by Kjell Jorner
Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉
Thrilled to share our hybrid inverse design strategy for discovering organic photocatalysts, now published in @JACS: Accelerating EnT catalyst discovery by bridging generative modeling and experimental validation. 🔥💡
pubs.acs.org/doi/10.1021/...
pubs.acs.org/doi/10.1021/...
Inverse Molecular Design for the Discovery of Organic Energy Transfer Photocatalysts: Bridging Global and Local Chemical Space Exploration
The discovery of new organic photocatalysts (PCs) for energy transfer (EnT) catalysis remains a significant challenge, largely due to the vast and underexplored chemical space and the delicate balance...
pubs.acs.org
February 9, 2026 at 1:38 PM
Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉
Reposted by Kjell Jorner
AstraZeneca is hiring in Predictive Science, Digital, and Automation and you even get my face on your screen. Being real, this is an awesome department to work in though #chemjobs #UKchemjobs #EUchemjobs www.linkedin.com/posts/nessac...
Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I… | Nes...
Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I believ...
www.linkedin.com
February 3, 2026 at 8:10 AM
AstraZeneca is hiring in Predictive Science, Digital, and Automation and you even get my face on your screen. Being real, this is an awesome department to work in though #chemjobs #UKchemjobs #EUchemjobs www.linkedin.com/posts/nessac...
Reposted by Kjell Jorner
Release candidate 3 of chemiscope 1.0 is out, with class and range based highlighting of points. Try it, break it, report it on github.com/lab-cosmo/ch...
February 1, 2026 at 11:59 AM
Release candidate 3 of chemiscope 1.0 is out, with class and range based highlighting of points. Try it, break it, report it on github.com/lab-cosmo/ch...
Reposted by Kjell Jorner
Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): https://gromochem.web.rug.nl/ We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of […]
Original post on mstdn.science
mstdn.science
January 15, 2026 at 10:48 AM
Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): https://gromochem.web.rug.nl/ We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of […]
Reposted by Kjell Jorner
🚨Just 1 week left to apply! Join us in Gothenburg and work on AI for polymer design.
We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates!
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Vacancies
www.chalmers.se
December 22, 2025 at 7:42 AM
🚨Just 1 week left to apply! Join us in Gothenburg and work on AI for polymer design.
Reposted by Kjell Jorner
Come be my colleague @ucdchemistry.bsky.social!
We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor.
Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026
Reach out if you have questions!
We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor.
Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026
Reach out if you have questions!
December 19, 2025 at 11:36 AM
Come be my colleague @ucdchemistry.bsky.social!
We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor.
Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026
Reach out if you have questions!
We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor.
Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026
Reach out if you have questions!
Reposted by Kjell Jorner
My colleague @silviaosuna.bsky.social has two fully funded #PhD positions available:
👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻
www.linkedin.com/posts/s%C3%A...
👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻
www.linkedin.com/posts/s%C3%A...
Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain)
Many high-value molecules in pharma, agrochemicals, and materials rely on… |...
Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain)
Many high-value molecules in pharma, agrochemicals, and materials rely on ch...
www.linkedin.com
December 16, 2025 at 5:50 PM
My colleague @silviaosuna.bsky.social has two fully funded #PhD positions available:
👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻
www.linkedin.com/posts/s%C3%A...
👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻
www.linkedin.com/posts/s%C3%A...
Reposted by Kjell Jorner
👉 Just 2 weeks left to apply to these positions in our team (AI Lab for Molecular Engineering) in Sweden. Come design polymers with us!
To learn more about our team, please visit our group website: ailab.bio
To learn more about our team, please visit our group website: ailab.bio
We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates!
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Vacancies
www.chalmers.se
December 15, 2025 at 8:14 AM
👉 Just 2 weeks left to apply to these positions in our team (AI Lab for Molecular Engineering) in Sweden. Come design polymers with us!
To learn more about our team, please visit our group website: ailab.bio
To learn more about our team, please visit our group website: ailab.bio
Reposted by Kjell Jorner
🚀 Our Mini-Symposium on Molecular Machine Learning returns for its 8th Edition! 🤖 💻
🔗Register here: uni-ms.zoom-x.de/webinar/regi...
🗓 Date: January 15th, 2026
🕒 Time: 3:00 PM (UTC+1)
💻 Location: Online | Free of charge
#MachineLearning #Chemistry #DataScience #SPP2363
🔗Register here: uni-ms.zoom-x.de/webinar/regi...
🗓 Date: January 15th, 2026
🕒 Time: 3:00 PM (UTC+1)
💻 Location: Online | Free of charge
#MachineLearning #Chemistry #DataScience #SPP2363
December 11, 2025 at 8:41 AM
🚀 Our Mini-Symposium on Molecular Machine Learning returns for its 8th Edition! 🤖 💻
🔗Register here: uni-ms.zoom-x.de/webinar/regi...
🗓 Date: January 15th, 2026
🕒 Time: 3:00 PM (UTC+1)
💻 Location: Online | Free of charge
#MachineLearning #Chemistry #DataScience #SPP2363
🔗Register here: uni-ms.zoom-x.de/webinar/regi...
🗓 Date: January 15th, 2026
🕒 Time: 3:00 PM (UTC+1)
💻 Location: Online | Free of charge
#MachineLearning #Chemistry #DataScience #SPP2363
Reposted by Kjell Jorner
I’m recruiting a PhD student through the UCL EPSRC Landscape Award (UELA) to work on machine learning models for excited-state properties in molecular organic crystals.
🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj...
🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...
🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj...
🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...
Developing Machine Learning Models for Excited States Properties in Molecular Organic Crystals
ucl-epsrc-dtp.github.io
November 20, 2025 at 10:42 AM
I’m recruiting a PhD student through the UCL EPSRC Landscape Award (UELA) to work on machine learning models for excited-state properties in molecular organic crystals.
🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj...
🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...
🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj...
🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...
Reposted by Kjell Jorner
We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates!
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Vacancies
www.chalmers.se
December 1, 2025 at 8:16 AM
We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates!
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Apply by: Dec 28, 2025
www.chalmers.se/en/about-cha...
Reposted by Kjell Jorner
Subscribe to The Matter Blotter to keep getting updates about our lab’s work. We are ramping up the substack to provide human-written accounts of what the papers are about!
Check this week’s about our springs and sticks model by @realmantilla.bsky.social !
Check this week’s about our springs and sticks model by @realmantilla.bsky.social !
This week, The Matter Blotter dives into a recent work that we introduced earlier this year: the Springs and Sticks Model, developed by @realmantilla.bsky.social and @aspuru.bsky.social.
🔗 aspuru.substack.com/p/the-spring...
[1/3]
🔗 aspuru.substack.com/p/the-spring...
[1/3]
November 29, 2025 at 12:46 AM
Subscribe to The Matter Blotter to keep getting updates about our lab’s work. We are ramping up the substack to provide human-written accounts of what the papers are about!
Check this week’s about our springs and sticks model by @realmantilla.bsky.social !
Check this week’s about our springs and sticks model by @realmantilla.bsky.social !
Reposted by Kjell Jorner
Out now in JACS! We show that under typical Suzuki-Miyaura cross-coupling conditions, bulky ligands can promote palladium-catalyzed protodeboronation.
📜 pubs.acs.org/doi/full/10....
🖥️ github.com/chertianser/...
[1/5]
📜 pubs.acs.org/doi/full/10....
🖥️ github.com/chertianser/...
[1/5]
Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation
The Suzuki–Miyaura cross-coupling reaction is plagued by protodeboronation, an undesirable side reaction with water that consumes the boronic acid derivatives required for the cross-coupling reaction....
pubs.acs.org
November 19, 2025 at 5:48 PM
Out now in JACS! We show that under typical Suzuki-Miyaura cross-coupling conditions, bulky ligands can promote palladium-catalyzed protodeboronation.
📜 pubs.acs.org/doi/full/10....
🖥️ github.com/chertianser/...
[1/5]
📜 pubs.acs.org/doi/full/10....
🖥️ github.com/chertianser/...
[1/5]
Leon from the @gloriusgroup.bsky.social visited us for 5 months last year to apply generative modeling to energy transfer catalyst discovery. Then he went home and they synthesized and tested his top candidates. Here's the results 🚀
Preprint alert! 🚨
Excited to share our latest work on generative modelling for accelerating the discovery of organic photocatalysts💡✨
👉Read more: doi.org/10.26434/che...
Congratulations to Leon Schlosser, Nils Rendel, Julius Gemen, @gloriusfrank.bsky.social, and @valencekjell.com
Excited to share our latest work on generative modelling for accelerating the discovery of organic photocatalysts💡✨
👉Read more: doi.org/10.26434/che...
Congratulations to Leon Schlosser, Nils Rendel, Julius Gemen, @gloriusfrank.bsky.social, and @valencekjell.com
Inverse Molecular Design for the Discovery of Organic Energy Transfer Photocatalysts: Bridging Global and Local Chemical Space Exploration
The discovery of new organic photocatalysts (PCs) for energy transfer (EnT) catalysis remains a significant challenge, largely due to the vast and underexplored chemical space and the delicate balance...
doi.org
November 18, 2025 at 3:19 PM
Leon from the @gloriusgroup.bsky.social visited us for 5 months last year to apply generative modeling to energy transfer catalyst discovery. Then he went home and they synthesized and tested his top candidates. Here's the results 🚀
Reposted by Kjell Jorner
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
Please share!
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries.
Apply by Jan. 16, 2026
#PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM
www.ucd.ie
November 13, 2025 at 2:24 PM
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries!
#BattChat #NewPI #sustainability #electrochem
#BattChat #NewPI #sustainability #electrochem
One of the last papers from my postdoc with @aspuru.bsky.social is now out. Led by the tireless @gkwt.bsky.social, it investigates chirality in text-based generative models. Includes a nice simulation-based benchmark task for circular dichroism that I think could be useful to the community.
New paper out in PNAS Nexus!
Molecules aren’t flat — so why should our models be?🧬
Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules.
Link: doi.org/10.1093/pnas...
[1/4]
Molecules aren’t flat — so why should our models be?🧬
Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules.
Link: doi.org/10.1093/pnas...
[1/4]
Stereochemistry-aware string-based molecular generation
Abstract. This study investigates the impact of incorporating stereochemical information, a crucial aspect of computational drug discovery and materials de
doi.org
November 9, 2025 at 7:53 PM
One of the last papers from my postdoc with @aspuru.bsky.social is now out. Led by the tireless @gkwt.bsky.social, it investigates chirality in text-based generative models. Includes a nice simulation-based benchmark task for circular dichroism that I think could be useful to the community.
Reposted by Kjell Jorner
In the believe it or not category:
The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮
(Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)
The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮
(Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)
November 5, 2025 at 10:32 PM
In the believe it or not category:
The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮
(Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)
The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮
(Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)
Reposted by Kjell Jorner
I'm hiring postdocs @berkeleylab.lbl.gov to drive cutting-edge research involving MLIPs, high-throughput workflows, chemical reaction networks, generative models, and open-source software dev. Full position description + application here: forms.gle/zePBZDmciXez... #Chempostdoc #AI4Science
forms.gle
November 4, 2025 at 9:16 PM
I'm hiring postdocs @berkeleylab.lbl.gov to drive cutting-edge research involving MLIPs, high-throughput workflows, chemical reaction networks, generative models, and open-source software dev. Full position description + application here: forms.gle/zePBZDmciXez... #Chempostdoc #AI4Science
Has anyone else noted an increased use of the word "usage"? Is this a ChatGPT thing? I also see "utilize" popping up more often.
October 27, 2025 at 4:14 PM
Has anyone else noted an increased use of the word "usage"? Is this a ChatGPT thing? I also see "utilize" popping up more often.
Reposted by Kjell Jorner
Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany.
Pre-registration will open in early 2026.
Pre-registration will open in early 2026.
October 21, 2025 at 3:25 PM
Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany.
Pre-registration will open in early 2026.
Pre-registration will open in early 2026.
Reposted by Kjell Jorner
Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
October 16, 2025 at 10:06 PM
Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
Reposted by Kjell Jorner
I have a fully funded PhD position available in my group in Copenhagen: candidate.hr-manager.net/ApplicationI...
PhD fellowship in Organic Synthesis and Supramolecular Chemistry
The Department of Chemistry at the University of Copenhagen invites applicants for a PhD fellowship in Organic chemistry with a particular focus on supramolecul
candidate.hr-manager.net
October 9, 2025 at 6:51 AM
I have a fully funded PhD position available in my group in Copenhagen: candidate.hr-manager.net/ApplicationI...
One nice aspect of the Nobel Prize that not everyone knows is that they actually publish a short scientific document explaining the contributions of the Prize winners. The one for MOFs can be found below. As such, we can actually do "peer review" of the prizes 🧐 www.nobelprize.org/prizes/chemi...
Nobel Prize in Chemistry 2025
The Nobel Prize in Chemistry 2025 was awarded jointly to Susumu Kitagawa, Richard Robson and Omar M. Yaghi "for the development of metal–organic frameworks"
www.nobelprize.org
October 9, 2025 at 6:08 AM
One nice aspect of the Nobel Prize that not everyone knows is that they actually publish a short scientific document explaining the contributions of the Prize winners. The one for MOFs can be found below. As such, we can actually do "peer review" of the prizes 🧐 www.nobelprize.org/prizes/chemi...