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Computation CHANGE TOPIC

Computation and theory news

New double perovskites show potential for water splitting

Computer simulations have revealed that certain halide double perovskites could make effective photocatalysts for splitting water.

New iron-based cathode can triple energy density of lithium-ion batteries

A new cathode material comprising iron trifluoride nanorods with added cobalt and oxygen could triple the energy density of lithium-ion batteries.

A new type of 3D-printable ink with tiny magnetic particles produces soft structures that can move in complex ways in response to a magnetic field.

Elsevier releases 2017 CiteScore values.

Scientists have confirmed a magnetic property known as ‘chirality’ in nanometer-thick samples of amorphous, multilayered metal-based materials.

Using novel analytical techniques, scientists have been able to study the behavior of excitons trapped in quantum wells made of perovskite compounds.

Neural networks can predict the light-scattering properties of layered nanoparticles and design nanoparticles for a desired light-scattering behavior.

Scientists have found that the most effective thermoelectric materials can be realized by shaping substances such as tin telluride into 1D nanowires.

Scientists have trained a neural network to recognize features in a material's x-ray absorption spectrum that are sensitive to the arrangement of atoms.

Scientists have developed a blueprint for fabricating new heterostructures from different types of two-dimensional materials.

Scientists have shown they can predict the failure of granular materials such as gravel by monitoring naturally arising acoustic vibrations.

Physicists have calculated that exposing a topological semimetal to a magnetic field could turn it into a highly efficient thermoelectric material.

Stretching woven fabrics to make them stronger.

A combination of experiment and computation helped to create a 2D protein crystal that toggles between states of varying porosity and density.

A novel iron-based alloy has promising magnetic properties for spintronics applications, provided it’s created in layers less than 200nm thick.

A six-atom thick bilayer of tungsten diselenide exhibited a 100-fold increase in photoluminescence when subjected to strain.

The Acta Journals are delighted to announce the recipients of the 2018 Outstanding Reviewer awards for excellence in reviewing in 2017.

A novel method of computational analysis can help predict the composition and properties of as-yet-unmade high-entropy alloys.

A new process uses mathematical algorithms to design advanced materials by reducing complexity and taking advantage of machine learning.

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