Computation CHANGE TOPIC

Computation and theory news, March 2023

Reducing the energy consumption of building homes

Scalable, automatable process for energy-efficient building materials

Using artificial intelligence, researchers have designed random heteropolymers that can mimic many of the properties of natural proteins.

Using computer simulations and quantum calculations, researchers have modelled how charges are produced and transported in organic solar cells.

Understanding the complexities of complex materials

Using the technology behind predictive text, researchers have developed an AI model that can predict the properties of metal-organic frameworks (MOFs).

Using computational screening, researchers have discovered more than a dozen 2D semiconductor materials with high carrier mobility.

Researchers have calculated that 2D ferroelectric materals will bend in response to an electrical stimulus, allowing them to act as a nano-scale switch.

Using electron microscopy and computer modeling, researchers have studied the corrosion of metal alloys by molten salts in one, two and three dimensions.

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Using computer simulations, researchers have shown that bipyramid nanoparticles can form clathrate structures with gaps for guest molecules.

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