An E(3)-equivariant atomistic graph neural network that couples local chemical interactions, differentiable electrostatic and polarization physics, and a time-reversal-aware spin Hamiltonian in one trainable model.
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Updated
Jul 27, 2026 - Python
An E(3)-equivariant atomistic graph neural network that couples local chemical interactions, differentiable electrostatic and polarization physics, and a time-reversal-aware spin Hamiltonian in one trainable model.
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