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Author

Yury Maximov

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Jul 2026

Differentiable Grand-Canonical Monte Carlo with Importance-Sampled Insertions for Gas Adsorption in Porous Materials.

Gas adsorption in porous materials is naturally modeled in the grand-canonical ensemble. We give a compact, self-contained derivation of Metropolis-Hastings acceptance criteria for insertion, deletion, and displacement moves, including nonuniform insertion proposals based on a mixture of Gaussians (MoG) matched to pore...

Egor I Tuzharov, Yury Maximov, A. Bochenkova · 0 citations

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