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Computation CHANGE TOPIC

Computation and theory news, June 2017

Oxygen atoms embedded very near the surface of a copper catalyst play a central role in converting carbon dioxide and water into ethanol.

Controlling the dynamics of moisture responsive wrinkles.

Open source software developed for solubility prediction.

Computer simulations have revealed how a new electrocatalyst comprising nickel nano-islands on platinum can be both active and stable.

Materials scientists have resurrected and improved an online cookbook of crystalline structures.

A combination of C60, graphene and hexagonal boron nitride has similar properties to silicon but better chemical stability, lightness and flexibility.

Latest metrics show strong increases for the Materials Today family.

Using uranium atoms and organic linkers, scientists have built the lowest-density metal-organic framework ever made.

Find out more about the collaboration between HardwareX and Materials and Design journals.

In an unexpected finding, scientists have discovered that the atomic disorder seen in irradiated materials is different to that seen in glass.

Understanding the behavior of metal nanoparticles when undergoing oxidation.

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Scientists have synthesized a novel form of titanium nitride, called titanic nitride, which has promising mechanical and optoelectronic properties.

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Computer models show that the right mix of hydrogen bonds is critical for producing polymer and cement composites that are strong, tough and ductile.

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Micron-sized spheres coming together under the influence of a spinning magnetic field can be used to model 2D materials and other molecular systems.

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A single lens comprising gradient index materials and metasurface layers can focus red, blue and green wavelengths of light to the same point.

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