Simulations track how MOFs adsorb water, one molecule at a time

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‘You can almost drink our water model because it’s so realistic’

Researchers in the US have produced remarkably realistic molecular dynamics simulations of how metal–organic frameworks (MOFs) adsorb water. ‘You can almost drink our water model because it’s so realistic,’ jokes Francesco Paesani, who led the study at the University of California, San Diego. ‘You should trust the simulations because they are really very, very close to what the reality is.’