Chris Taylor
@dftchemist.bsky.social
Comp chemist/mat sci, applied science director, and assoc research professor. Enthusiast about all things Quantum, Star Wars, Sustainability, Chemistry, and Corrosion. Views my own.
Reposted by Chris Taylor
You can check out mlip-playground.bragitoff.com to play around with over 30 universal MLIPs from FairChem, MACE, MatterSim, SevenNet and Orb.
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November 26, 2025 at 7:09 PM
You can check out mlip-playground.bragitoff.com to play around with over 30 universal MLIPs from FairChem, MACE, MatterSim, SevenNet and Orb.
Thanks. I will definitely do this. I've been exploring using it to generate the corrosion susceptibility index, and so far it's matching well with the original model that was created using DFT only inputs (but obviously generating the data WAY faster).
November 26, 2025 at 7:27 PM
Thanks. I will definitely do this. I've been exploring using it to generate the corrosion susceptibility index, and so far it's matching well with the original model that was created using DFT only inputs (but obviously generating the data WAY faster).
Wow that’s an embarrassing level of reach to find an excuse there
November 26, 2025 at 1:51 PM
Wow that’s an embarrassing level of reach to find an excuse there
The unholy trinity
November 26, 2025 at 1:50 PM
The unholy trinity
For corrosion modeling, however, I think the accuracy penalty is more in the side of system representation/idealization that computational level of theory
November 26, 2025 at 1:49 PM
For corrosion modeling, however, I think the accuracy penalty is more in the side of system representation/idealization that computational level of theory
Should enable much higher levels of alloy configuration sampling than we did in the original work. But I imagine at some accuracy cost.
November 26, 2025 at 1:49 PM
Should enable much higher levels of alloy configuration sampling than we did in the original work. But I imagine at some accuracy cost.
Ok now noticing these all over town with these new bolts. Hopefully nothing galvanic going to happen here assuming these are steel covers of some kind … ?
November 23, 2025 at 6:34 PM
Ok now noticing these all over town with these new bolts. Hopefully nothing galvanic going to happen here assuming these are steel covers of some kind … ?
My mom would be all over this design for a new patchwork quilt project
November 22, 2025 at 2:22 PM
My mom would be all over this design for a new patchwork quilt project
His hubris is at the point he has talked himself into believing (hoping) he can ride this one out, now that he’s been pushed to the point of no return
November 20, 2025 at 1:52 PM
His hubris is at the point he has talked himself into believing (hoping) he can ride this one out, now that he’s been pushed to the point of no return
The Department of Hate
November 20, 2025 at 12:47 PM
The Department of Hate