Edvin Fako

@efssh

Computational Chemistry and Machine Learning | previously: @SchwallerGroup @EPFL | @BASF | @TheorHetCatICIQ | scientific Illustrations when time allows

Lucerne, Switzerland scholar.google.com/citations?user… Joined February 2019

316 Following 317 Followers 145 Posts

Latest posts 5

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Edvin Fako @efssh Feb 28

AutoAdsorbate is out in @ACSCatalysis!

Simple Heuristics for Advanced Sampling of Reactive Species on Surfaces

We demonstrate how to get a holistic and unbiased picture of surface reactive species energetics.

Code: github.com/basf/autoadsor…
Paper: pubs.acs.org/doi/10.1021/ac…

Edvin Fako @efssh Sep 10, 2025

For making the FLOPs count and going (far) beyond physics and chemistry, kudos, @spozdn @pschwllr 🔥

Sergey Pozdnyakov @spozdn Sep 10, 2025

High-dimensional linear mappings, or linear layers, dominate both the parameter count and inference cost in most deep learning models. We propose a general-purpose drop-in replacement with a substantially better capacity - inference cost ratio. Check it out!🧵

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Edvin Fako @efssh Aug 28, 2025

Psi-k @Psik_Network was intense & inspiring! Great to meet new & old faces (finally in 3D, not just 2D 😅)! Loved sharing our work on reactive interfaces on the big stage.

Hope our ideas help make sampling complex interfaces a bit easier. Soon more to come from @SchwallerGroup!

Edvin Fako @efssh Jul 31, 2025

There is a lot of passion, knowledge, and experience that @ZJoncev @drecmb bring, and it is well reflected in the video! Congrats on the launch!

Y Combinator Verified account @ycombinator Jul 31, 2025

b-12 (b12-labs.com) is building AI agents that help chemists design experiments and automatically run them on lab robots. They turn months of manual chemistry work into minutes of automated execution.

Congrats on the launch @drecmb & @ZJoncev!

ycombinator.com/launches/O3V-b…

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Edvin Fako @efssh May 17, 2025

Started with some slides for AutoAdsorbate-ended up with an animated deep dive into surface site detection.

It works on any surface, no bulk symmetry needed.
Here’s what this one-liner really does:
s=Surface(slab211)

code: github.com/basf/autoadsor…
paper: tinyurl.com/yfbxnbds

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