Jan Hermann
hrmnn.net
Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://hrmnn.net
👤 Joined on 18 February 2024
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- 18 Şub 2024, 14:52
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@jhrmnn.bsky.social - 17 Kas 2024, 18:37
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👀 #chemsky #compchem From the latest dump of claimed proofs by OpenAI
Show Post“Influence of XC Functional on Machine-Learned Interatomic Potentials’ Accuracy” — our group's latest work in JCTC. #chemsky #compchem Using borosilicate glasses as systems, we look into the influence of DFT functional on the physical properties of condensed matter phases. doi.org/10.1021/acs....
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Yes, that's the general idea. If you decide you want the distance to go from atom 4 instead of atom 2, it'll figure it out. We're just trying to gauge how many people use the two terms. You should be able to test it out in the continuous builds now avogadro.cc/install/
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I can too, but I think there is a ceiling on what "havoc" means here.
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Nice and the living report looks very well done.
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