Preprint
Oct 2026
Tersoff-NN: Hybrid Machine-Learned Bond-Order Extension of the Tersoff Potential
Tersoff-NN is developed, a hybrid machine-learning potential for Si, which retains the analytical radial interactions and cutoff structure of the Tersoff potential while representing its environment-dependent bond-order factor using compact neural networks (NNs).
Yusuke Nishimura, Sho Kubota, Kotaro Takematsu et al.
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