Grant Hill
@dr-ghill.bsky.social
Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry
Teaching interests in digital chemistry and active learning
Teaching interests in digital chemistry and active learning
Reposted by Grant Hill
Do you want to learn about the life of Walter Kohn, Nobel prize-winning chemist and physicist? Join us for our webinar focused around a newly published biography that delves into Kohn’s extraordinary journey – author Sir David Clary will join us live.
Register: https://rsc.li/3LwkwbX #ChemSky
Register: https://rsc.li/3LwkwbX #ChemSky
November 12, 2025 at 7:15 PM
Do you want to learn about the life of Walter Kohn, Nobel prize-winning chemist and physicist? Join us for our webinar focused around a newly published biography that delves into Kohn’s extraordinary journey – author Sir David Clary will join us live.
Register: https://rsc.li/3LwkwbX #ChemSky
Register: https://rsc.li/3LwkwbX #ChemSky
Know anyone who would be interested in a PhD using experiments and machine learning to help address anti-microbial resistance? They might like to take a look at this studentship available in Sheffield (I'm helping to supervise the ML part). www.findaphd.com/phds/project...
Machine Learning-Guided Discovery and Experimental Validation of Novel Antimicrobials Against Pseudomonas aeruginosa (S3.5-MPS-Soukarieh) at University of Sheffield on FindAPhD.com
PhD Project - Machine Learning-Guided Discovery and Experimental Validation of Novel Antimicrobials Against Pseudomonas aeruginosa (S3.5-MPS-Soukarieh) at University of Sheffield, listed on FindAPhD.c...
www.findaphd.com
October 29, 2025 at 11:28 AM
Know anyone who would be interested in a PhD using experiments and machine learning to help address anti-microbial resistance? They might like to take a look at this studentship available in Sheffield (I'm helping to supervise the ML part). www.findaphd.com/phds/project...
Reposted by Grant Hill
#compchem #machinelearning #quantumcomputing
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.
October 29, 2025 at 6:51 AM
#compchem #machinelearning #quantumcomputing
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.
We have several open positions & we are looking for:
- 2 postdocs in machine learning to work on foundation models (theoretical developments)
- 2 HPC engineers: quantum computing(1); ab initio computations and QM/MM (2)
Reach to me for more details.
Reposted by Grant Hill
TLDR; The PSF has made the decision to put our community and our shared diversity, equity, and inclusion values ahead of seeking $1.5M in new revenue. Please read and share. pyfound.blogspot.com/2025/10/NSF-...
🧵
🧵
The official home of the Python Programming Language
www.python.org
October 27, 2025 at 2:47 PM
TLDR; The PSF has made the decision to put our community and our shared diversity, equity, and inclusion values ahead of seeking $1.5M in new revenue. Please read and share. pyfound.blogspot.com/2025/10/NSF-...
🧵
🧵
Reposted by Grant Hill
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 Grant Hill
🚀 Exciting PhD in Manchester!
Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery.
#CompChem #PhDStudentship
📩 www.findaphd.com/phds/project...
Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery.
#CompChem #PhDStudentship
📩 www.findaphd.com/phds/project...
(EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI at The University of Manchester on FindAPhD.com
PhD Project - (EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI at The University of Manchester, listed on FindAPhD.com
www.findaphd.com
October 16, 2025 at 12:05 PM
🚀 Exciting PhD in Manchester!
Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery.
#CompChem #PhDStudentship
📩 www.findaphd.com/phds/project...
Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery.
#CompChem #PhDStudentship
📩 www.findaphd.com/phds/project...
Reposted by Grant Hill
🚀 Last Friday, the University of Leeds hosted our RAG Models & AI Agents in Chemical Discovery and Development Workshop.
We were delighted to welcome 36 leading experts from academia, industry, and funding bodies.
Read the workshop blog here
👉 buff.ly/rNnNeXe
#AI #Chemistry #Innovation
We were delighted to welcome 36 leading experts from academia, industry, and funding bodies.
Read the workshop blog here
👉 buff.ly/rNnNeXe
#AI #Chemistry #Innovation
September 22, 2025 at 8:30 AM
🚀 Last Friday, the University of Leeds hosted our RAG Models & AI Agents in Chemical Discovery and Development Workshop.
We were delighted to welcome 36 leading experts from academia, industry, and funding bodies.
Read the workshop blog here
👉 buff.ly/rNnNeXe
#AI #Chemistry #Innovation
We were delighted to welcome 36 leading experts from academia, industry, and funding bodies.
Read the workshop blog here
👉 buff.ly/rNnNeXe
#AI #Chemistry #Innovation
Age yourself with a tech problem you solved.
SCSI terminator had fallen off
SCSI terminator had fallen off
age yourself with a tech problem you solved
IDE cable routing
IDE cable routing
age yourself with a tech problem you solved
We remember making the argument to our parents that it was worth upgrading the family computer to 16 megabytes of RAM
yes, megabytes
We remember making the argument to our parents that it was worth upgrading the family computer to 16 megabytes of RAM
yes, megabytes
September 17, 2025 at 11:26 AM
Age yourself with a tech problem you solved.
SCSI terminator had fallen off
SCSI terminator had fallen off
Reposted by Grant Hill
I'm also going to take this opportunity to advertise again that I'm recruiting postdocs to work in my group. If you have an interest in quantum dynamics, excited states, electron/energy transfers, or other things my group does (see here faygroupucla.github.io) please do get in touch.
September 8, 2025 at 5:06 PM
I'm also going to take this opportunity to advertise again that I'm recruiting postdocs to work in my group. If you have an interest in quantum dynamics, excited states, electron/energy transfers, or other things my group does (see here faygroupucla.github.io) please do get in touch.
Bubbling with ideas after the @aichemyhub.bsky.social meeting on GenAI in chemical education.
One of the more ambitious ones may be “can you use AI to identify when marking / feedback isn’t consistent with the assessment criteria?”
One of the more ambitious ones may be “can you use AI to identify when marking / feedback isn’t consistent with the assessment criteria?”
July 21, 2025 at 6:57 PM
Bubbling with ideas after the @aichemyhub.bsky.social meeting on GenAI in chemical education.
One of the more ambitious ones may be “can you use AI to identify when marking / feedback isn’t consistent with the assessment criteria?”
One of the more ambitious ones may be “can you use AI to identify when marking / feedback isn’t consistent with the assessment criteria?”
On my way to London (Imperial) for a meeting on GenAI in Chemical Education
Looking forward to getting some ideas on how to incorporate into UG programmes
Looking forward to getting some ideas on how to incorporate into UG programmes
July 21, 2025 at 7:06 AM
On my way to London (Imperial) for a meeting on GenAI in Chemical Education
Looking forward to getting some ideas on how to incorporate into UG programmes
Looking forward to getting some ideas on how to incorporate into UG programmes
Reposted by Grant Hill
We're finishing up a new release, but trying to track down some bugs 🪲 #compchem
Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc
Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc
Avogadro Discussion
Discussion about the Avogadro molecular editor
discuss.avogadro.cc
December 27, 2024 at 8:02 PM
We're finishing up a new release, but trying to track down some bugs 🪲 #compchem
Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc
Some Windows users report Avogadro 1.99 won't even launch. If this is you and you're willing to test a new build, please let us know at discuss.avogadro.cc
Sounds familiar.
One of my colleagues has a homemade poster on his wall saying “remember to say no you ****”
One of my colleagues has a homemade poster on his wall saying “remember to say no you ****”
I'm mid-career and I've just realised I have never received *any* mentoring on how to manage my workload, on how to explicitly recognise when I've taken on too much and how to proactively develop a system to manage saying no to more things.
Mostly I just OCAFO (Over Commit And Find Out).
What […]
Mostly I just OCAFO (Over Commit And Find Out).
What […]
Original post on mastodon.online
mastodon.online
January 5, 2025 at 10:36 AM
Sounds familiar.
One of my colleagues has a homemade poster on his wall saying “remember to say no you ****”
One of my colleagues has a homemade poster on his wall saying “remember to say no you ****”
Reposted by Grant Hill
📣 Postdoc position in computational materials chemistry available
I am looking for a postdoc to join my group and work on computational design of disordered crystalline materials
Read more and apply here: www.vacancies.aau.dk/scientific-p...
Repost are highly appreciated!
#compchem
I am looking for a postdoc to join my group and work on computational design of disordered crystalline materials
Read more and apply here: www.vacancies.aau.dk/scientific-p...
Repost are highly appreciated!
#compchem
Postdoc in Computational design of disordered crystalline materials (2024-224-06155)
A postdoc position in computational materials chemistry is available to design sustainable materials with tailored disorder using computational chemistry and...
www.vacancies.aau.dk
December 16, 2024 at 11:46 AM
📣 Postdoc position in computational materials chemistry available
I am looking for a postdoc to join my group and work on computational design of disordered crystalline materials
Read more and apply here: www.vacancies.aau.dk/scientific-p...
Repost are highly appreciated!
#compchem
I am looking for a postdoc to join my group and work on computational design of disordered crystalline materials
Read more and apply here: www.vacancies.aau.dk/scientific-p...
Repost are highly appreciated!
#compchem
Reposted by Grant Hill
We have updated the van der Waals radii for most atoms, resulting in changes to some calculations across the CSD software portfolio.
More in the blog at ccdc-info.com/3VtALbN.
#Crystallography #CompChemSky
More in the blog at ccdc-info.com/3VtALbN.
#Crystallography #CompChemSky
December 16, 2024 at 4:26 PM
We have updated the van der Waals radii for most atoms, resulting in changes to some calculations across the CSD software portfolio.
More in the blog at ccdc-info.com/3VtALbN.
#Crystallography #CompChemSky
More in the blog at ccdc-info.com/3VtALbN.
#Crystallography #CompChemSky
Reposted by Grant Hill
"Publishers selling papers to train AIs" was perhaps not the direction I was hoping to see the already questionable scientific publishing scheme take 🧪 🌍 #AcademicSky #WomenInSTEM
www.nature.com/articles/d41...
www.nature.com/articles/d41...
Publishers are selling papers to train AIs — and making millions of dollars
Generative-AI models require massive amounts of data — scholarly publishers are licensing their content to train them.
www.nature.com
December 12, 2024 at 5:05 PM
"Publishers selling papers to train AIs" was perhaps not the direction I was hoping to see the already questionable scientific publishing scheme take 🧪 🌍 #AcademicSky #WomenInSTEM
www.nature.com/articles/d41...
www.nature.com/articles/d41...
Interested in self-driving labs for sustainable polymer additives? If so, there's a PhD project with @nwarren.bsky.social and me that you might like. www.findaphd.com/phds/project...
It is competition based and includes UK tuition fees and an enhanced stipend thanks to our industry partner. #chemsky
It is competition based and includes UK tuition fees and an enhanced stipend thanks to our industry partner. #chemsky
Sustainable Polymer Futures: Accelerated discovery platforms for next generation polymer-additives (C4-CMB-Warren) at University of Sheffield on FindAPhD.com
PhD Project - Sustainable Polymer Futures: Accelerated discovery platforms for next generation polymer-additives (C4-CMB-Warren) at University of Sheffield, listed on FindAPhD.com
www.findaphd.com
November 28, 2024 at 1:47 PM
Interested in self-driving labs for sustainable polymer additives? If so, there's a PhD project with @nwarren.bsky.social and me that you might like. www.findaphd.com/phds/project...
It is competition based and includes UK tuition fees and an enhanced stipend thanks to our industry partner. #chemsky
It is competition based and includes UK tuition fees and an enhanced stipend thanks to our industry partner. #chemsky
Reposted by Grant Hill
OK #chemsky do your thing. I have an immediate PhD vacancy working on a MOF / crystallography / electron diffraction project with Syngenta. Home fees and stipend are covered. Spread the word!
November 27, 2024 at 6:46 PM
OK #chemsky do your thing. I have an immediate PhD vacancy working on a MOF / crystallography / electron diffraction project with Syngenta. Home fees and stipend are covered. Spread the word!
Something else to dust on my desk at work
November 25, 2024 at 9:14 AM
Something else to dust on my desk at work
Reposted by Grant Hill
What better first post than to advertise this position. Come join our group!
Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated!
jobs.ethz.ch/job/view/JOP...
Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated!
jobs.ethz.ch/job/view/JOP...
Postdoc position in reactive machine learning potentials
jobs.ethz.ch
November 21, 2024 at 12:43 PM
What better first post than to advertise this position. Come join our group!
Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated!
jobs.ethz.ch/job/view/JOP...
Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated!
jobs.ethz.ch/job/view/JOP...
Age yourself with your first computer:
I’d be amazed if more than a handful of people knew what this was. Pic is not my actual computer
I’d be amazed if more than a handful of people knew what this was. Pic is not my actual computer
November 20, 2024 at 1:00 PM
Age yourself with your first computer:
I’d be amazed if more than a handful of people knew what this was. Pic is not my actual computer
I’d be amazed if more than a handful of people knew what this was. Pic is not my actual computer
Reposted by Grant Hill
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
openadmet.org
November 16, 2024 at 1:42 AM
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
Reposted by Grant Hill
So, Brighton, Aston and Hull are going/gone, and the next one is Reading.
Universities have no money, chemistry departments are expensive, and increasingly there is pressure on to close them.
Vandalising the UK science base in this way will do no good in the long run.
www.change.org/p/stop-unive...
Universities have no money, chemistry departments are expensive, and increasingly there is pressure on to close them.
Vandalising the UK science base in this way will do no good in the long run.
www.change.org/p/stop-unive...
Sign the Petition
Stop University of Reading from closing the Department of Chemistry
www.change.org
November 15, 2024 at 2:09 PM
So, Brighton, Aston and Hull are going/gone, and the next one is Reading.
Universities have no money, chemistry departments are expensive, and increasingly there is pressure on to close them.
Vandalising the UK science base in this way will do no good in the long run.
www.change.org/p/stop-unive...
Universities have no money, chemistry departments are expensive, and increasingly there is pressure on to close them.
Vandalising the UK science base in this way will do no good in the long run.
www.change.org/p/stop-unive...
New platform, new profile pic.
I’ve “decloaked” and am no longer a benzene dimer
I’ve “decloaked” and am no longer a benzene dimer
November 15, 2024 at 12:18 PM
New platform, new profile pic.
I’ve “decloaked” and am no longer a benzene dimer
I’ve “decloaked” and am no longer a benzene dimer