Welcome to pair_allegro Discussions! #13
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Hello everyone! I'm Hongyu Yu from Fudan University under supervision of Hongjun Xiang and excited to connect with more people in this community. My works focus on the application of ML technique in materials especially magnetic material. Allegro is one of the best ML potentials nowadays and my recent work extents allegro into spin-allegro with Time-reversal e3nn to consider the spin degrees in magnetic material. As for NPT parallel simulations, I submit related PRs to make Allegro complete. Hope it helps! Open-minded to any kind of connections and my email is [email protected] :) With some experience of using allegro and developing on it, I am willing to contribute to the building of this community. |
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👋 Welcome!
We’re using Discussions as a place to connect with other members of our community. We hope that you:
build together 💪.
To get started, comment below with an introduction of yourself and tell us about what you do with this community.
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