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Spin-informed universal graph neural networks for simulating magnetic ordering

journal contribution
posted on 2025-08-28, 16:52 authored by Wenbin Xu, Rohan Yuri Sanspeur, Adeesh Kolluru, Bowen Deng, Peter Harrington, Steven Farrell, Karsten Reuter, John R. Kitchin
This journal contribution is published Open Access by the publisher. Follow the DOI link to retrieve a copy of the full text. The computational resources provided by the National Energy Research Scientific Computing Center, a US Department of Energy Office of Science User Facility located at Lawrence Berkeley National Laboratory, operated under Contract No. DE-AC02-05CH11231. R.Y.S. and J.R.K. were supported by the Army Research Office project Award W911NF2010188. Portions of the paper were developed from the thesis of R.Y.S.,K.R. and J.R.K. designed research; W.X., R.Y.S., A.K., and B.D. performed research; W.X., R.Y.S., and P.H. analyzed data; and W.X., P.H., S.F., K.R., and J.R.K. wrote the paper.,The authors declare no competing interest.

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