Omid Shayestehpour
@omidshy.bsky.social
postdoc @unipaderborn.bsky.social • accelerating ab-initio simulations with machine learning
"The purpose of computing is insight, not numbers."
"The purpose of computing is insight, not numbers."
Reposted by Omid Shayestehpour
Many people think about cold in Northern Europe if the Atlantic Ocean current system #AMOC fails. But that wouldn’t be the only problem for Europe by far.
This new study shows that severe drought is another one. 🌊
This new study shows that severe drought is another one. 🌊
📢 New paper on the impacts of AMOC collapse on European hydroclimate. 🌊
We find an AMOC collapse would exacerbate drought conditions across Europe, linked to reduced precipitation. In combination with climate change droughts are expected to become more frequent and severe.
doi.org/10.5194/hess...
We find an AMOC collapse would exacerbate drought conditions across Europe, linked to reduced precipitation. In combination with climate change droughts are expected to become more frequent and severe.
doi.org/10.5194/hess...
Changing European hydroclimate under a collapsed AMOC in the Community Earth System Model
Abstract. The Atlantic Meridional Overturning Circulation (AMOC) is expected to weaken or even collapse under anthropogenic climate change. Given the importance of the AMOC in the present-day climate,...
doi.org
November 22, 2025 at 5:52 AM
Many people think about cold in Northern Europe if the Atlantic Ocean current system #AMOC fails. But that wouldn’t be the only problem for Europe by far.
This new study shows that severe drought is another one. 🌊
This new study shows that severe drought is another one. 🌊
I own a massive satellite company, a massive rocket company, and an AI company, and my solution to global warming is AI satellites in space.
November 8, 2025 at 10:01 AM
I own a massive satellite company, a massive rocket company, and an AI company, and my solution to global warming is AI satellites in space.
Reposted by Omid Shayestehpour
Wow, this is disappointing. This meeting was supposed to be a final confirmation of a deal agreed six months ago, and it would have been the first serious step in making the slow-to-change shipping industry cleaner & greener & ready for the future. The delay only hurts everyone in the long run. 🌊
Shipping emissions levy shelved as countries bow to US pressure
Long-planned charge on greenhouse gas emissions postponed as Trump officials accused of intimidation tactics
www.theguardian.com
October 17, 2025 at 6:15 PM
Wow, this is disappointing. This meeting was supposed to be a final confirmation of a deal agreed six months ago, and it would have been the first serious step in making the slow-to-change shipping industry cleaner & greener & ready for the future. The delay only hurts everyone in the long run. 🌊
Reposted by Omid Shayestehpour
We are alarmed by reports that Germany is on the verge of a catastrophic about-face, reversing its longstanding and principled opposition to the EU’s Chat Control proposal which, if passed, could spell the end of the right to privacy in Europe. signal.org/blog/pdfs/ge...
signal.org
October 3, 2025 at 4:14 PM
We are alarmed by reports that Germany is on the verge of a catastrophic about-face, reversing its longstanding and principled opposition to the EU’s Chat Control proposal which, if passed, could spell the end of the right to privacy in Europe. signal.org/blog/pdfs/ge...
Reposted by Omid Shayestehpour
There's a really nice explanation (with clear graphics) in this @quantamagazine.bsky.social article of why most molecules in the atmosphere (oxygen & nitrogen) don't act as greenhouse gases, but a lot of the far less numerous ones (like carbon dioxide and methane) do. A great teaching aid :)
The Quantum Mechanics of Greenhouse Gases | Quanta Magazine
Earth’s radiation can send some molecules spinning or vibrating, which is what makes them greenhouse gases. This infographic explains how relatively few heat-trapping molecules can have a planetary ef...
www.quantamagazine.org
September 26, 2025 at 9:24 AM
There's a really nice explanation (with clear graphics) in this @quantamagazine.bsky.social article of why most molecules in the atmosphere (oxygen & nitrogen) don't act as greenhouse gases, but a lot of the far less numerous ones (like carbon dioxide and methane) do. A great teaching aid :)
Reposted by Omid Shayestehpour
.@quantamagazine.bsky.social has devoted a whole issue to the fundamental science of climate. Can't wait to read this – we hear so much about climate change, but so little about the basic science.
Press: www.newswire.com/news/quanta-...
Issue: www.quantamagazine.org/how-we-came-...
Press: www.newswire.com/news/quanta-...
Issue: www.quantamagazine.org/how-we-came-...
Quanta Series Marvels at 'The Achievement of Climate Science'
www.newswire.com
September 18, 2025 at 2:00 PM
.@quantamagazine.bsky.social has devoted a whole issue to the fundamental science of climate. Can't wait to read this – we hear so much about climate change, but so little about the basic science.
Press: www.newswire.com/news/quanta-...
Issue: www.quantamagazine.org/how-we-came-...
Press: www.newswire.com/news/quanta-...
Issue: www.quantamagazine.org/how-we-came-...
Reposted by Omid Shayestehpour
In the early days of quantum chemistry, before we had computers to calculate the shapes of electron orbitals, one man invented a mechanical machine that simulated their shapes. My latest column for @chemistryworld.com
www.chemistryworld.com/opinion/the-...
www.chemistryworld.com/opinion/the-...
The simple machine that visualised atomic orbitals
In 1931, Harvey Elliott White developed a device that traced out the shapes of electron clouds by approximating solutions to the Schrödinger equation
www.chemistryworld.com
September 18, 2025 at 9:37 AM
In the early days of quantum chemistry, before we had computers to calculate the shapes of electron orbitals, one man invented a mechanical machine that simulated their shapes. My latest column for @chemistryworld.com
www.chemistryworld.com/opinion/the-...
www.chemistryworld.com/opinion/the-...
Reposted by Omid Shayestehpour
Closing in on half a million avoidable deaths. A historic legacy of indifference to human suffering.
An estimated 450,000 people have died because of the abrupt cuts to the United States Agency for International Development. www.theguardian.com/us-news/2025...
Protesters demand release of HIV funds ‘illegally’ withheld by Trump
People take to streets against Trump administration plans to rescind funding for life-saving international programs
www.theguardian.com
September 3, 2025 at 3:25 PM
Closing in on half a million avoidable deaths. A historic legacy of indifference to human suffering.
Reposted by Omid Shayestehpour
The EU wants creepy AI to scan EVERY message you send. Even the encrypted ones. 😱
But guess who’s EXEMPT?
✅ Government
✅ Military
❌ YOU
Now, we need YOU to join the fight.
📞 Call your rep.
🔗 Find out more here: tuta.com/blog/chat-co...
Let’s save privacy in Europe. ✊
But guess who’s EXEMPT?
✅ Government
✅ Military
❌ YOU
Now, we need YOU to join the fight.
📞 Call your rep.
🔗 Find out more here: tuta.com/blog/chat-co...
Let’s save privacy in Europe. ✊
August 16, 2025 at 11:26 AM
The EU wants creepy AI to scan EVERY message you send. Even the encrypted ones. 😱
But guess who’s EXEMPT?
✅ Government
✅ Military
❌ YOU
Now, we need YOU to join the fight.
📞 Call your rep.
🔗 Find out more here: tuta.com/blog/chat-co...
Let’s save privacy in Europe. ✊
But guess who’s EXEMPT?
✅ Government
✅ Military
❌ YOU
Now, we need YOU to join the fight.
📞 Call your rep.
🔗 Find out more here: tuta.com/blog/chat-co...
Let’s save privacy in Europe. ✊
Reposted by Omid Shayestehpour
New result from CERN (@lhcb.bsky.social) finds CP violation in the decay of baryons for the first time. Not unexpected - and not violation of baryon number itself! - but hopefully one more step in understanding why there is more matter than antimatter in the universe.
gizmodo.com/cern-physici...
gizmodo.com/cern-physici...
CERN Physicists Find Key Piece of the Matter-Antimatter Puzzle
In a first, CERN physicists succeeded in observing matter-antimatter imbalance in baryons, fundamental particles that make up most of the observable universe.
gizmodo.com
July 17, 2025 at 12:54 PM
New result from CERN (@lhcb.bsky.social) finds CP violation in the decay of baryons for the first time. Not unexpected - and not violation of baryon number itself! - but hopefully one more step in understanding why there is more matter than antimatter in the universe.
gizmodo.com/cern-physici...
gizmodo.com/cern-physici...
Reposted by Omid Shayestehpour
There’s a nonzero chance you will die from a cancer that could have been curable because people who couldn’t pass 7th grade biology and are scared of things like “mRNA” and “riboflavin” and “walkable cities” decided to make their ignorance everybody else’s problem
Over 120 mRNA cancer trials are now at risk as the Trump admin cuts funding & tells researchers to scrub “mRNA” from grant proposals.
What started as COVID fearmongering is now derailing life-saving cancer research.
Hope remains - but scientists say time is running out.
zurl.co/YBGNy
What started as COVID fearmongering is now derailing life-saving cancer research.
Hope remains - but scientists say time is running out.
zurl.co/YBGNy
‘Tremendous uncertainty’ for cancer research as US officials target mRNA vaccines
Amid Trump cuts and state-level backlash, experts worry that progress in messenger RNA vaccines could stall
zurl.co
July 14, 2025 at 11:08 PM
There’s a nonzero chance you will die from a cancer that could have been curable because people who couldn’t pass 7th grade biology and are scared of things like “mRNA” and “riboflavin” and “walkable cities” decided to make their ignorance everybody else’s problem
Reposted by Omid Shayestehpour
How did human language emerge? A key step was combining sounds into words, shifting from analog to digital to overcome error thresholds. Fascinating paper with deep ties to Shannon’s coding theory. @sfiscience.bsky.social
royalsocietypublishing.org/doi/epdf/10....
royalsocietypublishing.org/doi/epdf/10....
July 12, 2025 at 3:49 PM
How did human language emerge? A key step was combining sounds into words, shifting from analog to digital to overcome error thresholds. Fascinating paper with deep ties to Shannon’s coding theory. @sfiscience.bsky.social
royalsocietypublishing.org/doi/epdf/10....
royalsocietypublishing.org/doi/epdf/10....
Reposted by Omid Shayestehpour
A study confirms what we have long argued: the spectacular Atlantic 'cold blob' is the result of a slowing of the Atlantic overturning circulation #AMOC, which transports warm waters into that region. That's the only part of Earth that resisted #globalwarming. 🌊
www.sciencedaily.com/releases/202...
www.sciencedaily.com/releases/202...
The Atlantic's chilling secret: A century of data reveals ocean current collapse
A century-old mystery of a stubborn cold patch in the North Atlantic is finally being unraveled. A new study links this anomaly to a long-term weakening of the Atlantic Meridional Overturning Circulat...
www.sciencedaily.com
June 23, 2025 at 4:13 PM
A study confirms what we have long argued: the spectacular Atlantic 'cold blob' is the result of a slowing of the Atlantic overturning circulation #AMOC, which transports warm waters into that region. That's the only part of Earth that resisted #globalwarming. 🌊
www.sciencedaily.com/releases/202...
www.sciencedaily.com/releases/202...
At this stage, EU Foreign Ministers are about as relevant as a fart in a biscuit tin.
Iran must not be allowed to develop a nuclear weapon, as it would be a threat to international security.
I urge all sides to step back, return to the negotiating table and prevent further escalation.
EU Foreign Ministers will discuss the situation tomorrow.
I urge all sides to step back, return to the negotiating table and prevent further escalation.
EU Foreign Ministers will discuss the situation tomorrow.
June 22, 2025 at 7:08 PM
At this stage, EU Foreign Ministers are about as relevant as a fart in a biscuit tin.
Reposted by Omid Shayestehpour
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT ⚛️🔥🧪🧬
June 18, 2025 at 11:24 AM
🚀 After two+ years of intense research, we’re thrilled to introduce Skala — a scalable deep learning density functional that hits chemical accuracy on atomization energies and matches hybrid-level accuracy on main group chemistry — all at the cost of semi-local DFT ⚛️🔥🧪🧬
Reposted by Omid Shayestehpour
Uncertainty in the face of serious danger is of course no reason to ignore it.
Passing that #AMOC tipping point by mid-century looks increasingly likely in light of recent studies.
And there’s also a more imminent, albeit a bit less detrimental risk:
bsky.app/profile/rahm...
Passing that #AMOC tipping point by mid-century looks increasingly likely in light of recent studies.
And there’s also a more imminent, albeit a bit less detrimental risk:
bsky.app/profile/rahm...
One of the most immediate climate tipping point dangers is an abrupt cooling of the subpolar gyre, with major impacts on 🇪🇺 climate possible in the next decades. 🌊
Great how @swinda.bsky.social Falkena et al. use advanced causal inference methods to tease out the mechanisms!
arxiv.org/html/2408.16...
Great how @swinda.bsky.social Falkena et al. use advanced causal inference methods to tease out the mechanisms!
arxiv.org/html/2408.16...
June 11, 2025 at 3:38 PM
Uncertainty in the face of serious danger is of course no reason to ignore it.
Passing that #AMOC tipping point by mid-century looks increasingly likely in light of recent studies.
And there’s also a more imminent, albeit a bit less detrimental risk:
bsky.app/profile/rahm...
Passing that #AMOC tipping point by mid-century looks increasingly likely in light of recent studies.
And there’s also a more imminent, albeit a bit less detrimental risk:
bsky.app/profile/rahm...
Reposted by Omid Shayestehpour
Nobel Prize Laureate Kip Thorne speaking yesterday at the Albert Einstein Institute in Postdam, Germany:
"Donald Trump is destroying America's capacity for [leading science]. We are counting on Europe to take over here and elsewhere." ⚛️ 🧪
"Donald Trump is destroying America's capacity for [leading science]. We are counting on Europe to take over here and elsewhere." ⚛️ 🧪
June 4, 2025 at 9:03 PM
Nobel Prize Laureate Kip Thorne speaking yesterday at the Albert Einstein Institute in Postdam, Germany:
"Donald Trump is destroying America's capacity for [leading science]. We are counting on Europe to take over here and elsewhere." ⚛️ 🧪
"Donald Trump is destroying America's capacity for [leading science]. We are counting on Europe to take over here and elsewhere." ⚛️ 🧪
Reposted by Omid Shayestehpour
Lyapunov instability of a system of WCA disks. Initially, the two systems (blue and red) differ only by 10^-12 in the x-velocities of two particles. The exponential divergence of the trajectories, probed by the configuration space distance, is shown on the right.
June 2, 2025 at 8:32 PM
Lyapunov instability of a system of WCA disks. Initially, the two systems (blue and red) differ only by 10^-12 in the x-velocities of two particles. The exponential divergence of the trajectories, probed by the configuration space distance, is shown on the right.
Reposted by Omid Shayestehpour
Is DOGE cutting the size of the federal government? No. www.youtube.com/watch?v=KpNg...
DOGE Is Not Cutting Government Spending
YouTube video by vlogbrothers
www.youtube.com
April 8, 2025 at 3:29 PM
Is DOGE cutting the size of the federal government? No. www.youtube.com/watch?v=KpNg...
Reposted by Omid Shayestehpour
Guess what? By learning from energies and forces, machine learning interatomic potentials can now infer electrical responses like polarization and BECs! This means we can perform MLIP MD simulations under electric fields!
arxiv.org/pdf/2504.05169
arxiv.org/pdf/2504.05169
arxiv.org
April 8, 2025 at 2:34 AM
Guess what? By learning from energies and forces, machine learning interatomic potentials can now infer electrical responses like polarization and BECs! This means we can perform MLIP MD simulations under electric fields!
arxiv.org/pdf/2504.05169
arxiv.org/pdf/2504.05169
Reposted by Omid Shayestehpour
Would you present your next NeurIPS paper in Europe instead of traveling to San Diego (US) if this was an option? Søren Hauberg (DTU) and I would love to hear the answer through this poll: (1/6)
NeurIPS participation in Europe
We seek to understand if there is interest in being able to attend NeurIPS in Europe, i.e. without travelling to San Diego, US. In the following, assume that it is possible to present accepted papers ...
docs.google.com
March 30, 2025 at 6:04 PM
Would you present your next NeurIPS paper in Europe instead of traveling to San Diego (US) if this was an option? Søren Hauberg (DTU) and I would love to hear the answer through this poll: (1/6)
Reposted by Omid Shayestehpour
This is a remarkable paper! A gigantic dataset of highly precise, highly accurate first-principles data. This builds on years of work on @fhi-aims.bsky.social - enabling dispersion-corrected hybrid DFT that covers a huge swath of chemical space. Congrats to the authors!
doi.org/10.1038/s415...
doi.org/10.1038/s415...
The QCML dataset, Quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations - Scientific Data
Scientific Data - The QCML dataset, Quantum chemistry reference data from 33.5M DFT and 14.7B semi-empirical calculations
urldefense.com
March 12, 2025 at 8:03 PM
This is a remarkable paper! A gigantic dataset of highly precise, highly accurate first-principles data. This builds on years of work on @fhi-aims.bsky.social - enabling dispersion-corrected hybrid DFT that covers a huge swath of chemical space. Congrats to the authors!
doi.org/10.1038/s415...
doi.org/10.1038/s415...
Reposted by Omid Shayestehpour
“People will die, but we will never know, because even the programs to count the dead are cut.”
www.nytimes.com/2025/02/27/h...
www.nytimes.com/2025/02/27/h...
U.S. Terminates Funding for Polio, H.I.V., Malaria and Nutrition Programs Around the World
Here are some of the 5,800 contracts the Trump administration formally canceled this week in a wave of terse emails.
www.nytimes.com
February 28, 2025 at 3:24 PM
“People will die, but we will never know, because even the programs to count the dead are cut.”
www.nytimes.com/2025/02/27/h...
www.nytimes.com/2025/02/27/h...
Reposted by Omid Shayestehpour
Super fast review in J Phys Chem Lett @pubs.acs.org and check it out: doi.org/10.1021/acs....
Andrea killed this, also showing that the LODE long range descriptors are essential to capture a very basic scaling law of the polarizability of metallic nanoparticles with size.
Andrea killed this, also showing that the LODE long range descriptors are essential to capture a very basic scaling law of the polarizability of metallic nanoparticles with size.
February 27, 2025 at 9:50 AM
Super fast review in J Phys Chem Lett @pubs.acs.org and check it out: doi.org/10.1021/acs....
Andrea killed this, also showing that the LODE long range descriptors are essential to capture a very basic scaling law of the polarizability of metallic nanoparticles with size.
Andrea killed this, also showing that the LODE long range descriptors are essential to capture a very basic scaling law of the polarizability of metallic nanoparticles with size.
Reposted by Omid Shayestehpour
🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization
www.ks.uiuc.edu/Research/vmd...
www.ks.uiuc.edu/Research/vmd...
February 17, 2025 at 6:56 AM
🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization
www.ks.uiuc.edu/Research/vmd...
www.ks.uiuc.edu/Research/vmd...