ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

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The algorithm walks the tree recursively. At each node, it checks: does this node's bounding box overlap with the query rectangle? If not, the entire subtree gets pruned (skipped). If it does overlap, it tests the node's points against the query and recurses into the children.

Владимир Зеленский. Фото: Thilo Schmuelgen / Reuters

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