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Computation CHANGE TOPIC

Computation and theory news

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.

After more than 60 years of trying, scientists have reported the first organic synthesis of a carbon nanobelt.

Bits, bytes and oscillating chits

A new design strategy provides a highly general framework that can be applied to the self-assembly of crystalline or fluid materials.

By heating ethene in stages on a rhodium catalyst substrate, scientists have managed to convert it to layers of graphene.

Scientists have succeeded in making the first chiral molecular sieves for distinguishing left- and right-handed versions of molecules.

There will be four awards of $2,000 each for Acta Materialia, Scripta Materialia and Acta Biomaterialia.

A new model can account for irregularities in how atoms in materials such as metals arrange themselves at so-called ‘grain boundaries’.

Using simplified proteins known as peptoids, scientists have discovered that a minor change in structure can alter the crystallization pathway.

Molecular crystal lattice made up of fullerene molecules called fullerite has outstanding stiffness and hardness.

Scientists have successfully synthesized two new magnetic materials predicted by high-throughput computational models.

Explore the first issue of HardwareX.

New research suggests that transition metal dichalcogenides could realize topological superconductivity and provide a platform for quantum computing.

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Most viewed in computation and theory…
News
 

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

News
 

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

News
 

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

News
 

Latest metrics show strong increases for the Materials Today family.

News
 

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

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