Calibrating a computational microscope


A team of computational chemists at the Van ‘t Hoff Institute for Molecular Sciences of the University of Amsterdam and the Department of Chemistry of the University of Cambridge has developed a new method of seeing molecular motions by incorporating experimental kinetic rate constants into molecular simulations. The results were recently published in the Proceedings […]

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Molecular dynamics simulation sheds new light on methane hydrate formation


In a paper published this week in PNAS, researchers at the University of Amsterdam’s Van ‘t Hoff Institute for Molecular Sciences and the Amsterdam Center for Multiscale Modeling provide atomistic insight in the formation of methane hydrates. On the basis of molecular dynamics simulations they explain how selection between competing methane hydrate polymorphs occurs, and […]

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