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Computation CHANGE TOPIC

Computation and theory news, October 2018

The strength of a particular chemical bond in cuprates influences the temperature at which they achieve superconductivity.

Using atomic quantum simulation, physicists have made the first observation of a specific type of toplogical insulator that's induced by disorder.

Using a supercomputer, scientists have managed to predict the electrical and optical properties of hybrid organic-inorganic perovskites.

Researchers have combined experiment and theory to elucidate the electronic structure and optical behavior of novel gold and silver alloys.

Scientists have probed a superionic crystal with neutrons and X-rays to determine how it can possess both solid and liquid properties.

A bio-inspired soft material can alter its properties by self-assembling into molecular superstructures and then disassembling on demand.

Scientists have found that the protective oxide films that form on metals can trap other atoms inside them, which influence many of the film’s properties.

Combining Mössbauer spectroscopy with ‘center of gravity’ analysis can reveal how the oxidation state of iron oxide nanoparticles changes over time.

Scientists have computed the optical properties, including transmittance, absorbance and reflectance, of 55 2D materials.

A unique combination of imaging tools and atomic-level simulations has revealed that a hybrid organic-inorganic perovskite film is ferroelastic.

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