Digging into the model we found intriguing behaviour, such as the unsupervised discovery by the model of ‘core’ electron orbitals for second row atoms.
This has been a fascinating project to be a part of! Check out the preprint for more details and results. (8/n)
BioEmu now published in @science.org !!
What is BioEmu? Check out this video:
youtu.be/LStKhWcL0VE?...
Excited to finally announce the publication of MatterGen on Nature. MatterGen represents a new paradigm of materials design with generative AI. We are releasing the code of MatterGen under MIT license. Look forward to seeing how the community will use the tool and build on top of it.
To get cost down we make use of amortization: solving a single minimization problem with a more complex network that represents multiple wavefunctions simultaneously (5/n)
Describing strongly correlated quantum systems remains a major challenge in quantum chemistry. Deep QMC offer a potential solution, but at a huge computational cost. (4/n)
We also saw very strong results confirming the experimental activation energy of a Diels-Alder reaction, and significantly outperforming earlier transferable QMC approaches (7/n)
For a short ML focused introduction to this paper, I wrote this blog post ae-foster.github.io/posts/2025/0... (3/n)