New insights into the supercritical state of water

Using molecular dynamics simulations, researchers have analysed the properties of supercritical water. The researchers showed which structure of the hydrogen bond network is formed in different supercritical states and also ...

Simulations lead to design of near-frictionless material

Argonne scientists used Mira to identify and improve a new mechanism for eliminating friction, which fed into the development of a hybrid material that exhibited superlubricity at the macroscale for the first time. Argonne ...

Classical enzymatic theory revised by including water motions

Enzymes are macromolecular biological catalysists that lead most of chemical reactions in living organisms. The main focus of enzymology lies on enzymes themselves, whereas the role of water motions in mediating the biological ...

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