Jarvist Moore Frost
@jarvist.bsky.social
To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
PK's (Keerati Keeratikarn) second PhD project was on fitting electron transfer integrals between organic electronic molecules with the Atomic Cluster Expansion (ACE).
Codes: github.com/Frost-group/...
Preprint: arxiv.org/abs/2511.06551
Codes: github.com/Frost-group/...
Preprint: arxiv.org/abs/2511.06551
Machine learning intermolecular transfer integrals with compact atomic cluster representations
Calculating intermolecular charge transfer integrals in organic semiconductors requires substantial computer resource for each individual calculation. We might alternatively construct a machine learni...
arxiv.org
November 11, 2025 at 7:37 PM
PK's (Keerati Keeratikarn) second PhD project was on fitting electron transfer integrals between organic electronic molecules with the Atomic Cluster Expansion (ACE).
Codes: github.com/Frost-group/...
Preprint: arxiv.org/abs/2511.06551
Codes: github.com/Frost-group/...
Preprint: arxiv.org/abs/2511.06551
Reposted by Jarvist Moore Frost
This a big deal: "China’s carbon dioxide emissions have been flat or falling for 18 months"
China's economy has grown by ~5% in the last year, so this comprehensively debunks the idea (again) that emissions are tied to growth. So yes, faster progress needed, but this is how you turn the corner.
China's economy has grown by ~5% in the last year, so this comprehensively debunks the idea (again) that emissions are tied to growth. So yes, faster progress needed, but this is how you turn the corner.
China’s CO2 emissions have been flat or falling for past 18 months, analysis finds
World’s biggest polluter on track to hit peak emissions target early but miss goal for cutting carbon intensity
www.theguardian.com
November 11, 2025 at 9:20 AM
This a big deal: "China’s carbon dioxide emissions have been flat or falling for 18 months"
China's economy has grown by ~5% in the last year, so this comprehensively debunks the idea (again) that emissions are tied to growth. So yes, faster progress needed, but this is how you turn the corner.
China's economy has grown by ~5% in the last year, so this comprehensively debunks the idea (again) that emissions are tied to growth. So yes, faster progress needed, but this is how you turn the corner.
Reposted by Jarvist Moore Frost
I’d always wondered why no one had ever published a full, detailed map of the 1960s plan to turn London into a giant web of US-style urban motorways…. It turns even the politicians and designers didn’t make one at the time. It just didn’t exist. Until now.
Earlier this week I spoke to London Centric about the Ringways Map and all things unbuilt London - they’ve dedicated the whole of their latest edition to the story! substack.com/home/post/p-...
Would your home have been under a motorway?
"The most astonishing and destructive thing never to happen to London," says the man who has spent twenty years researching the first true map of the unbuilt Ringways.
substack.com
November 9, 2025 at 8:40 AM
I’d always wondered why no one had ever published a full, detailed map of the 1960s plan to turn London into a giant web of US-style urban motorways…. It turns even the politicians and designers didn’t make one at the time. It just didn’t exist. Until now.
Reposted by Jarvist Moore Frost
Can’t wait to hear fuel duty get frozen again in the budget in ten days or so!!
Govt scraps all electrification investment. Midland Main Line to stay forever diesel Leicester Nottingham Derby Sheffield. Hugely embarrassing and inexplicable
www.ft.com/content/5ecd...
www.ft.com/content/5ecd...
UK transport secretary says full electrification of railways ‘not affordable right now’
Heidi Alexander says focus will be on other projects such as HS2
www.ft.com
November 9, 2025 at 9:25 AM
Can’t wait to hear fuel duty get frozen again in the budget in ten days or so!!
Reposted by Jarvist Moore Frost
Now that he has passed I thought I would share this letter I received in 2013 from James Watson after I wrote to ask whether he or Crick had discussed the DNA work with Franklin following publication of the structure in 1953. Relations were cordial but the matter was not discussed.
November 8, 2025 at 9:22 AM
Now that he has passed I thought I would share this letter I received in 2013 from James Watson after I wrote to ask whether he or Crick had discussed the DNA work with Franklin following publication of the structure in 1953. Relations were cordial but the matter was not discussed.
Reposted by Jarvist Moore Frost
A French cyclist survived for three days after a horrendous 130-foot fall into a ravine, kept alive by the bottles of red wine he had in his shopping bag, police said.
Cyclist falls down 130-foot ravine in France, survives 3 days by drinking wine he had in shopping bag
A helicopter airlifted him to hospital, with a rescue doctor calling his survival "a miracle."
cbsn.ws
October 31, 2025 at 12:40 PM
A French cyclist survived for three days after a horrendous 130-foot fall into a ravine, kept alive by the bottles of red wine he had in his shopping bag, police said.
Reposted by Jarvist Moore Frost
Government has published one of those quiet but important documents that might get overlooked as it is not 'newsy'. The headline finding is that £1 of public R&D investment generates £8 in net economic benefits for the UK over the long term
www.gov.uk/government/p...
www.gov.uk/government/p...
The value of public R&D
www.gov.uk
October 30, 2025 at 1:28 PM
Government has published one of those quiet but important documents that might get overlooked as it is not 'newsy'. The headline finding is that £1 of public R&D investment generates £8 in net economic benefits for the UK over the long term
www.gov.uk/government/p...
www.gov.uk/government/p...
I love the fact that "CRANKYMEGAFISHSTINGRAY" is a genuine amino acid sequence.
((( I suppose if I find a dictionary somewhere in my unix filesystem 'grep -v' with the 6 letters NOT amino acids would find all the genuine amino-acid words... ))
github.com/Frost-group/...
((( I suppose if I find a dictionary somewhere in my unix filesystem 'grep -v' with the 6 letters NOT amino acids would find all the genuine amino-acid words... ))
github.com/Frost-group/...
Mouls.jl/bayesian_update.dat at main · Frost-group/Mouls.jl
Brain-dead prediction of peptide synthesis. Contribute to Frost-group/Mouls.jl development by creating an account on GitHub.
github.com
October 30, 2025 at 4:11 PM
I love the fact that "CRANKYMEGAFISHSTINGRAY" is a genuine amino acid sequence.
((( I suppose if I find a dictionary somewhere in my unix filesystem 'grep -v' with the 6 letters NOT amino acids would find all the genuine amino-acid words... ))
github.com/Frost-group/...
((( I suppose if I find a dictionary somewhere in my unix filesystem 'grep -v' with the 6 letters NOT amino acids would find all the genuine amino-acid words... ))
github.com/Frost-group/...
I was quite pleased with this: generates a set of randomised times-table questions of given factors (f), but stochastically includes the commutative pair (i.e. c × f = f × c) and the 'division fact' (c × f = a, then ask a ÷ f) in the next few questions.
Certainly productive procrastination!
Certainly productive procrastination!
![Terminal, showing:
[Fri17Oct-20:15]jmf02@IC-MM72V3T2YK:/Users/jmf02/REPOS/TimesTable
; julia timestable_practice.jl
Hello Jarv! Your startup.jl was executed.
Generating 20 times-table and division questions; factors 2, 10.
Q1: 80 ÷ 10 =
Q2: 2 × 2 =
Q3: 10 × 10 =
Q4: 4 ÷ 2 =
Q5: 100 ÷ 10 =
Q6: 10 × 8 =
Q7: 2 × 2 =
Q8: 8 × 10 =
Q9: 2 × 10 =
Q10: 10 × 10 =](https://cdn.bsky.app/img/feed_thumbnail/plain/did:plc:a465mnmzzmetftmutnsxvf2w/bafkreibncydlt7dtuehjivlbi4yy6vgjqqv3hbhvrtw7ldkkdjfokudb4a@jpeg)
October 17, 2025 at 7:21 PM
I was quite pleased with this: generates a set of randomised times-table questions of given factors (f), but stochastically includes the commutative pair (i.e. c × f = f × c) and the 'division fact' (c × f = a, then ask a ÷ f) in the next few questions.
Certainly productive procrastination!
Certainly productive procrastination!
Reposted by Jarvist Moore Frost
Does any scientist on here think the Royal Society's decision to keep Musk as a Fellow was the right one? I don't want to start an argument, but am just genuinely curious what the arguments pro would be.
October 1, 2025 at 7:56 PM
Does any scientist on here think the Royal Society's decision to keep Musk as a Fellow was the right one? I don't want to start an argument, but am just genuinely curious what the arguments pro would be.
Reposted by Jarvist Moore Frost
On 15th Sept, billionaire & Royal Society fellow Elon Musk called for political & interethnic violence, to pre-empt (ie, begin) a civil war. ("Whether you choose violence or not, violence is coming to you. You either fight back or you die."). A fortnight later, the Society expresses its disapproval
"I am increasingly concerned over threats to the values that allow science to flourish." Read the full statement from the President of the Royal Society Sir Adrian Smith: royalsociety.org/news/2025/10...
A statement from the President of the Royal Society | Royal Society
A statement from the President of the Royal Society regarding threats to the values that allow science to flourish.
royalsociety.org
October 1, 2025 at 5:35 PM
On 15th Sept, billionaire & Royal Society fellow Elon Musk called for political & interethnic violence, to pre-empt (ie, begin) a civil war. ("Whether you choose violence or not, violence is coming to you. You either fight back or you die."). A fortnight later, the Society expresses its disapproval
I'm recruiting PhD students (Imperial Chemistry), for a >Jan 2026 start.
1) Designing antimicrobial peptides with machine learning and computational chemistry approaches
2) Machine learning surrogate quantum mechanical models (particularly Tight-binding and PPP)
docs.google.com/document/d/1...
1) Designing antimicrobial peptides with machine learning and computational chemistry approaches
2) Machine learning surrogate quantum mechanical models (particularly Tight-binding and PPP)
docs.google.com/document/d/1...
2025-09_FrostGroupPhDAdverts
September 2025 Frost group PhD adverts Overview / TL;DR Introduction The Frost Research Group Motivation / Philosophy Eligibility Funding Notes How to apply Project 1: Machine learning and computati...
docs.google.com
September 22, 2025 at 1:51 PM
I'm recruiting PhD students (Imperial Chemistry), for a >Jan 2026 start.
1) Designing antimicrobial peptides with machine learning and computational chemistry approaches
2) Machine learning surrogate quantum mechanical models (particularly Tight-binding and PPP)
docs.google.com/document/d/1...
1) Designing antimicrobial peptides with machine learning and computational chemistry approaches
2) Machine learning surrogate quantum mechanical models (particularly Tight-binding and PPP)
docs.google.com/document/d/1...
Gnuplot with image terminal support sort of works. But you get lots of weird unhappiness with detecting / outputting.
I've only just discovered the ability to pipe within `set output "|kitten icat --stdin" `, usually when I do this I output to a png and then display. But interactive would be nicer!
I've only just discovered the ability to pipe within `set output "|kitten icat --stdin" `, usually when I do this I output to a png and then display. But interactive would be nicer!
September 10, 2025 at 11:16 PM
Gnuplot with image terminal support sort of works. But you get lots of weird unhappiness with detecting / outputting.
I've only just discovered the ability to pipe within `set output "|kitten icat --stdin" `, usually when I do this I output to a png and then display. But interactive would be nicer!
I've only just discovered the ability to pipe within `set output "|kitten icat --stdin" `, usually when I do this I output to a png and then display. But interactive would be nicer!
Meet friends... wiggle proteins on a computer... analyse trajectories... (Hopefully become a Bayesian?)
The perfect start to a bio-MD focused PhD!
The perfect start to a bio-MD focused PhD!
#CCPBioSim will be running their annual training week of hands-on workshops in basic biomolecular simulation techniques from the 13th-17th October, in Sheffield.
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
September 9, 2025 at 10:08 AM
Meet friends... wiggle proteins on a computer... analyse trajectories... (Hopefully become a Bayesian?)
The perfect start to a bio-MD focused PhD!
The perfect start to a bio-MD focused PhD!
Reposted by Jarvist Moore Frost
#CCPBioSim will be running their annual training week of hands-on workshops in basic biomolecular simulation techniques from the 13th-17th October, in Sheffield.
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
August 29, 2025 at 7:46 AM
#CCPBioSim will be running their annual training week of hands-on workshops in basic biomolecular simulation techniques from the 13th-17th October, in Sheffield.
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
For more details, visit www.ccpbiosim.ac.uk/training2025
The registration link there will open shortly! #compchem
Really nice long-form post on how the ML architecture AND the hardware (accelerators, GPUs and TPUs) evolved together.
I think it's always very important in science to be reflective on where how the technology (i.e. hardware) and science (i.e. software) develop in tandem, often as a tick-tock.
I think it's always very important in science to be reflective on where how the technology (i.e. hardware) and science (i.e. software) develop in tandem, often as a tick-tock.
*A Meticulous Guide to Advances in Deep Learning Efficiency over the Years* by Alex Zhang
Part deep learning history, part overview on the vast landscape of "efficiency" in DL (hardware, compilers, architecture, ...). Fantastic post!
alexzhang13.github.io/blog/2024/ef...
Part deep learning history, part overview on the vast landscape of "efficiency" in DL (hardware, compilers, architecture, ...). Fantastic post!
alexzhang13.github.io/blog/2024/ef...
July 3, 2025 at 9:38 AM
Really nice long-form post on how the ML architecture AND the hardware (accelerators, GPUs and TPUs) evolved together.
I think it's always very important in science to be reflective on where how the technology (i.e. hardware) and science (i.e. software) develop in tandem, often as a tick-tock.
I think it's always very important in science to be reflective on where how the technology (i.e. hardware) and science (i.e. software) develop in tandem, often as a tick-tock.
Reposted by Jarvist Moore Frost
Version 2.0 of Gaston, a Julia package for plotting using gnuplot, has been released: mbaz.github.io/Gaston.jl/v2/
#JuliaLang #gnuplot
#JuliaLang #gnuplot
Introduction – Gaston.jl
mbaz.github.io
July 1, 2025 at 2:01 PM
Version 2.0 of Gaston, a Julia package for plotting using gnuplot, has been released: mbaz.github.io/Gaston.jl/v2/
#JuliaLang #gnuplot
#JuliaLang #gnuplot
Reposted by Jarvist Moore Frost
Here's a free link to the article if anyone is interested. It's a very depressing read: archive.ph/2025.05.07-1...
archive.ph
May 9, 2025 at 4:07 PM
Here's a free link to the article if anyone is interested. It's a very depressing read: archive.ph/2025.05.07-1...
I'm off to a local high-school tomorrow to give an access / interested in science / Imperial talk.
I wanted to explain that ChatGPT wasn't magic, so am going to get the students to make a 2-gram word 'generative model' out of sampling Shakespeare sonnets, BY HAND.
It works really well!
I wanted to explain that ChatGPT wasn't magic, so am going to get the students to make a 2-gram word 'generative model' out of sampling Shakespeare sonnets, BY HAND.
It works really well!
May 1, 2025 at 11:27 PM
I'm off to a local high-school tomorrow to give an access / interested in science / Imperial talk.
I wanted to explain that ChatGPT wasn't magic, so am going to get the students to make a 2-gram word 'generative model' out of sampling Shakespeare sonnets, BY HAND.
It works really well!
I wanted to explain that ChatGPT wasn't magic, so am going to get the students to make a 2-gram word 'generative model' out of sampling Shakespeare sonnets, BY HAND.
It works really well!
Reposted by Jarvist Moore Frost
Part 1 was superb, a lot of plain-speaking and clarity about what's happening. I've been looking forward to listening to part 2
It was my pleasure to resume my extended conversation with Jonathan Terra about the end of the Atlantic Alliance.
podcasts.apple.com/gb/podcast/b...
podcasts.apple.com/gb/podcast/b...
The Crisis in The Atlantic Alliance ep 2
Podcast Episode · Behind The Lines with Arthur Snell · 06/04/2025 · 51m
podcasts.apple.com
April 6, 2025 at 3:17 PM
Part 1 was superb, a lot of plain-speaking and clarity about what's happening. I've been looking forward to listening to part 2
Reposted by Jarvist Moore Frost
Modern science wouldn’t exist without the online research repository known as arXiv. Three decades in, its creator still can’t let it go.
Inside arXiv—the Most Transformative Platform in All of Science
Modern science wouldn’t exist without the online research repository known as arXiv. Three decades in, its creator still can’t let it go.
wrd.cm
March 27, 2025 at 10:04 AM
Modern science wouldn’t exist without the online research repository known as arXiv. Three decades in, its creator still can’t let it go.
Reposted by Jarvist Moore Frost
Fellow #JuliaLang enthusiasts, here's your chance to shine: the call for proposals of JuliaCon Local Paris 2025 is finally open. Send us your coolest, nerdiest contributions and we'll prepare a scientific program for the ages!
pretalx.com/juliacon-loc...
pretalx.com/juliacon-loc...
March 27, 2025 at 2:42 PM
Fellow #JuliaLang enthusiasts, here's your chance to shine: the call for proposals of JuliaCon Local Paris 2025 is finally open. Send us your coolest, nerdiest contributions and we'll prepare a scientific program for the ages!
pretalx.com/juliacon-loc...
pretalx.com/juliacon-loc...
🧪 I use open-source Zulip for my research group 'text chat' rather than Slack / Discord, to try and reduce stress and FOMO from the fire-hydrant of text chat.
There's just been a big new release of the software
blog.zulip.com/2025/03/20/z...
Why Zulip for research?
scverse.zulip.com/for/research/
There's just been a big new release of the software
blog.zulip.com/2025/03/20/z...
Why Zulip for research?
scverse.zulip.com/for/research/
Zulip 10.0: Organized chat for distributed teams
We’re excited to announce the release of Zulip Server 10.0, containing hundreds
of new features and bug fixes!
Zulip
is an open-source team chat application designed for seamless remote and hybrid
wo...
blog.zulip.com
March 21, 2025 at 10:15 AM
🧪 I use open-source Zulip for my research group 'text chat' rather than Slack / Discord, to try and reduce stress and FOMO from the fire-hydrant of text chat.
There's just been a big new release of the software
blog.zulip.com/2025/03/20/z...
Why Zulip for research?
scverse.zulip.com/for/research/
There's just been a big new release of the software
blog.zulip.com/2025/03/20/z...
Why Zulip for research?
scverse.zulip.com/for/research/