A differentiable pipeline uses continuous atom occupancy and gradient descent plus a neural network to optimize short-range order in multi-element alloys directly for target stiffness properties.
Chemical-motif characterization of short-range order with E(3) -equivariant graph neural networks
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Differentiable inverse design of short-range order in high-entropy alloys: from target sro to target property
A differentiable pipeline uses continuous atom occupancy and gradient descent plus a neural network to optimize short-range order in multi-element alloys directly for target stiffness properties.