Stijn De Baerdemacker
@cortogantese.bsky.social
The reason why the sky is blue is #quantum. The reason why it is sometimes pink is sunsets. #theochem #xai #qubits #quovadis
Most sunsets observed in #Fredericton 🍁
Most sunsets observed in #Fredericton 🍁
Any drawing of any technical thing is always wonky from these models. Not sure at this point if it is a bug or a feature.
November 24, 2025 at 11:58 AM
Any drawing of any technical thing is always wonky from these models. Not sure at this point if it is a bug or a feature.
As always, lively discussions and a whole-lotta-learning during QuNB seminars! (2/2)
November 15, 2025 at 3:28 AM
As always, lively discussions and a whole-lotta-learning during QuNB seminars! (2/2)
Recommend checking out these references:
arxiv.org/abs/2412.13088
doi.org/10.1039/D4DD...
as well as the impressive work on MACE-Osaka24 models:
github.com/qiqb-osaka/m...
Foundation ML work FTW! (2/2)
arxiv.org/abs/2412.13088
doi.org/10.1039/D4DD...
as well as the impressive work on MACE-Osaka24 models:
github.com/qiqb-osaka/m...
Foundation ML work FTW! (2/2)
Taming Multi-Domain, -Fidelity Data: Towards Foundation Models for Atomistic Scale Simulations
Machine learning interatomic potentials (MLIPs) are changing atomistic simulations in the field of chemistry and materials science. However, constructing a single universal MLIP that can accurately mo...
arxiv.org
November 12, 2025 at 8:32 PM
Recommend checking out these references:
arxiv.org/abs/2412.13088
doi.org/10.1039/D4DD...
as well as the impressive work on MACE-Osaka24 models:
github.com/qiqb-osaka/m...
Foundation ML work FTW! (2/2)
arxiv.org/abs/2412.13088
doi.org/10.1039/D4DD...
as well as the impressive work on MACE-Osaka24 models:
github.com/qiqb-osaka/m...
Foundation ML work FTW! (2/2)
Many among us still hungover from the blue bird’s toxic potion …
November 1, 2025 at 3:04 AM
Many among us still hungover from the blue bird’s toxic potion …
Te weinig, en eerder in een droge co-author list. “Joint work” is mooi expliciet.
October 17, 2025 at 1:53 PM
Te weinig, en eerder in een droge co-author list. “Joint work” is mooi expliciet.
“It was all trivial”
October 12, 2025 at 6:48 PM
“It was all trivial”
Excited to see this one out an learn more👏. Enjoy the choice for a grid-based approach, and wonder about the internal representation and transferability of the model. 🧪
October 11, 2025 at 3:10 AM
Excited to see this one out an learn more👏. Enjoy the choice for a grid-based approach, and wonder about the internal representation and transferability of the model. 🧪
And on a darker note: it is a failure of society that we need the investment of $B private companies to deliver cornerstones of research and progress #AIsouvereignty #alfafold #omol25
October 2, 2025 at 10:39 PM
And on a darker note: it is a failure of society that we need the investment of $B private companies to deliver cornerstones of research and progress #AIsouvereignty #alfafold #omol25
Already reposted it on LinkedIn today, (@justinoberman.bsky.social), so might as well throw it in here as well:
“AI is not a replacement of understanding, it’s an amplifier of understanding”
Case in point: you’ll need to understand DFT if you want ML to have an impact in #compchem/#quantchem
“AI is not a replacement of understanding, it’s an amplifier of understanding”
Case in point: you’ll need to understand DFT if you want ML to have an impact in #compchem/#quantchem
October 2, 2025 at 10:30 PM
Already reposted it on LinkedIn today, (@justinoberman.bsky.social), so might as well throw it in here as well:
“AI is not a replacement of understanding, it’s an amplifier of understanding”
Case in point: you’ll need to understand DFT if you want ML to have an impact in #compchem/#quantchem
“AI is not a replacement of understanding, it’s an amplifier of understanding”
Case in point: you’ll need to understand DFT if you want ML to have an impact in #compchem/#quantchem
Can’t really pinpoint it
October 2, 2025 at 4:13 AM
Can’t really pinpoint it