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

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An almost kilometre thick layer of clay or cap rock will lock away the CO2, just as it trapped oil and gas for millions of years, Schovsbo explains.

If executed well, Delaunay-based tetrahedral dithering can outperform the N-convex method and produce results that rival Knoll’s algorithm. The devil is in the detail however, as actually implementing a robust Delaunay triangulator is a non-trivial task, especially where numerical stability is concerned. The additional memory overhead required by the triangulation structure may also be a concern.

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self.storage = self._init_storage()

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