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Advanced molecular dynamics simulations to construct free energy profiles of complex transformations in nanoporous materials

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R. Demuynck, L. Vanduyfhuys, S.M.J. Rogge, J. Wieme, V. Van Speybroeck

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From molecular trajectories to reaction coordinates, Lorentz Center

Leiden, the Netherlands

Monday, 29 August, 2016 to Friday, 2 September, 2016

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