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

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We wanted a scenario where, say, 5 well-placed border points could efficiently represent an area with 5,000 internal points and 10,000 road edges. This would reduce those 10,000 edges to just 5*4/2 = 10 shortcuts for routing through that cluster at a high level – an incredible 1:1000 point ratio and a 30x reduction in edges to consider for the high-level path!

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