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I'm working on E2E catalyst discovery (for all small molecule chemistry) at the moment as the primary core of Atomic Tessellator. https://atomictessellator.com
by malux85 3y ago
I'm working on E2E catalyst discovery (for all small molecule chemistry) at the moment as the primary core of Atomic Tessellator.
https://atomictessellator.com https://atomictessellator.com
Mars catalysis are one of my validation projects, so it's cool to see work done by other scientists in this area too!
Catalyst discovery is quite fun because the molecular actions are highly varied, and you have to also watch for specificity, selectivity stability, and all sorts of other fun stuff. I have been implementing things like MLP (Machine learned potentials) to speed up the initial search and then higher resolution distirbuted workers that do the quantum chemistry after we switch from "exploratory" to "confirmatory" simulations.
Last weekend I wrote some shaders to visualize electron density grids on the GPU, it was super fun and I learnt a lot
I am hoping to get into y-combinator and find a co-founder, I am highly technical and wrote it all myself, I would also like to connect with deep tech investors too