CO₂/CH₄ competitive adsorption in MOFs: high-throughput screening and molecular simulation

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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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