Computation CHANGE TOPIC

Computation and theory news, December 2022

Researchers have developed a new method for discovering unknown and unpredicted crystalline materials with two or more elements.

New ab-initio simulation unveils ways to reduce friction and wear

In a paper in Science, researchers have laid out their vision for electrolyte design in future generations of batteries.

Researchers have uncovered a new type of fractal in the magnetic noise generated by a class of magnets called spin ices.

A novel method uses topology and machine learning to quantify complex changes in the microscopic magnetic domain structures of magnetic materials.

Researchers have shown that metadynamics can be used to find low-energy configurations in the energy landscapes of glassy materials.

Researchers have developed a method to predict how crystals take shape from their internal chemistry, even when they lack symmetry.

Researchers have discovered why charged ions can pass through certain 2D materials without leaving holes.

Researchers have discovered that, in contrast to conventional wisdom, the thermal conductivity of boron arsenide begins to decrease at high pressures.

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