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Computational Generation of User-Desired Multivariate Metal–Organic Framework Structures

Authors

  • Prof. Jihan Kim

    Corresponding author
    1. Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro Yuseong-gu, Daejeon 305-701 (Republic of Korea), Fax: (+82) 42-350-3910
    • Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro Yuseong-gu, Daejeon 305-701 (Republic of Korea), Fax: (+82) 42-350-3910

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Abstract

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One small step: Various Monte Carlo moves are utilized to generate optimal, user-desired MTV-MOF structures during a single simulation run.

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