Computation CHANGE TOPIC

Computation and theory news, December 2021

Researchers have developed a simulator that can both predict solar cell efficiency and provide information about what changes will improve it.

Low temperature milling makes hBN active

Hexagonal boron nitride (hBN) can be made ‘active’ by ball milling at extremely low temperatures

A combination of quantum mechanics and machine learning can accurately predict the reduction temperature of metal oxides to their base metals.

Sunlight can contract the space between atomic layers in 2D perovskites, improving the material’s photovoltaic efficiency by up to 18%.

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By shifting the oxidation-reduction potential of a lithium-metal electrode, researchers have enhanced the energy density of lithium-metal batteries.

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Using AI to design new complex metamaterials with useful properties

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Researchers have shown that introducing intentional flaws to a metallic alloy can be used to make it stronger without affecting its flexibility.

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Researchers have shown that X-ray absorption spectroscopy and machine learning can be used to identify materials with topological properties.