Sander Vandenhaute
@sanderhaute.bsky.social
Computational physics/chemistry, and some ML
prev: PhD @ Ghent University 🇧🇪, AI researcher @ Orbital Materials 🇬🇧
now: postdoc @ Rotskoff group (Stanford University)
prev: PhD @ Ghent University 🇧🇪, AI researcher @ Orbital Materials 🇬🇧
now: postdoc @ Rotskoff group (Stanford University)
April 9, 2025 at 12:31 PM
Reposted by Sander Vandenhaute
NEW: 2024 has just been confirmed as the warmest year on record, and the first to breach the 1.5C threshold.
We used a ridgeline (Joy Division inspired) chart to visualise daily temperature anomalies since 1940.
2024 clearly stands out with 100% of its days above 1.3C and 75% above 1.5C.
We used a ridgeline (Joy Division inspired) chart to visualise daily temperature anomalies since 1940.
2024 clearly stands out with 100% of its days above 1.3C and 75% above 1.5C.
January 10, 2025 at 8:04 AM
NEW: 2024 has just been confirmed as the warmest year on record, and the first to breach the 1.5C threshold.
We used a ridgeline (Joy Division inspired) chart to visualise daily temperature anomalies since 1940.
2024 clearly stands out with 100% of its days above 1.3C and 75% above 1.5C.
We used a ridgeline (Joy Division inspired) chart to visualise daily temperature anomalies since 1940.
2024 clearly stands out with 100% of its days above 1.3C and 75% above 1.5C.
typst (the definitive Latex successor) and manim (for stunning visuals/movies/slideshows) are two incredibly useful pieces of software
typst.app
github.com/3b1b/manim
typst.app
github.com/3b1b/manim
Typst: Compose papers faster
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typst.app
January 15, 2025 at 8:43 PM
typst (the definitive Latex successor) and manim (for stunning visuals/movies/slideshows) are two incredibly useful pieces of software
typst.app
github.com/3b1b/manim
typst.app
github.com/3b1b/manim
Reposted by Sander Vandenhaute
Anne Gagneux, Ségolène Martin, @quentinbertrand.bsky.social Remi Emonet and I wrote a tutorial blog post on flow matching: dl.heeere.com/conditional-... with lots of illustrations and intuition!
We got this idea after their cool work on improving Plug and Play with FM: arxiv.org/abs/2410.02423
We got this idea after their cool work on improving Plug and Play with FM: arxiv.org/abs/2410.02423
November 27, 2024 at 9:00 AM
Anne Gagneux, Ségolène Martin, @quentinbertrand.bsky.social Remi Emonet and I wrote a tutorial blog post on flow matching: dl.heeere.com/conditional-... with lots of illustrations and intuition!
We got this idea after their cool work on improving Plug and Play with FM: arxiv.org/abs/2410.02423
We got this idea after their cool work on improving Plug and Play with FM: arxiv.org/abs/2410.02423
scalable molecular simulation: github.com/molmod/psiflow
scientific: ML potentials, DFT and post-HF calculations, (path-integral) MD, replica exchange, alchemical ΔF , hessians, ...
technical: automated job submission, simple Python, scales to >100 nodes, containerized!
scientific: ML potentials, DFT and post-HF calculations, (path-integral) MD, replica exchange, alchemical ΔF , hessians, ...
technical: automated job submission, simple Python, scales to >100 nodes, containerized!
November 25, 2024 at 6:08 PM
scalable molecular simulation: github.com/molmod/psiflow
scientific: ML potentials, DFT and post-HF calculations, (path-integral) MD, replica exchange, alchemical ΔF , hessians, ...
technical: automated job submission, simple Python, scales to >100 nodes, containerized!
scientific: ML potentials, DFT and post-HF calculations, (path-integral) MD, replica exchange, alchemical ΔF , hessians, ...
technical: automated job submission, simple Python, scales to >100 nodes, containerized!
Reposted by Sander Vandenhaute
Epic capture ….Grand Canyon National Park in Arizona ✨👏✨😎✨
November 24, 2024 at 2:05 AM
Epic capture ….Grand Canyon National Park in Arizona ✨👏✨😎✨
Reposted by Sander Vandenhaute
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
November 17, 2024 at 4:20 PM
Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!
new SOTA on collective variable learning!
gist? Train classifier in feature space of pretrained GNN to predict 'phase' of an atomic geometry:
CV(A->B) = logit(B) - logit(A)
+data-efficient
+invariant wrt trans/rot/perm
+compatible w foundation models!
gist? Train classifier in feature space of pretrained GNN to predict 'phase' of an atomic geometry:
CV(A->B) = logit(B) - logit(A)
+data-efficient
+invariant wrt trans/rot/perm
+compatible w foundation models!
April 8, 2024 at 1:00 PM
new SOTA on collective variable learning!
gist? Train classifier in feature space of pretrained GNN to predict 'phase' of an atomic geometry:
CV(A->B) = logit(B) - logit(A)
+data-efficient
+invariant wrt trans/rot/perm
+compatible w foundation models!
gist? Train classifier in feature space of pretrained GNN to predict 'phase' of an atomic geometry:
CV(A->B) = logit(B) - logit(A)
+data-efficient
+invariant wrt trans/rot/perm
+compatible w foundation models!