Computation and theory news, April 2014

AI model helps understand defects in polycrystalline materials

A 3D model created by AI helped researchers to understand the formation of dislocations in complex polycrystalline materials.

New study reveals key role of hydrogen bonding in perovskite solar cells

Using various analytical techniques, researchers have established how hydrogen bonding plays a key role in the performance of perovskite solar cells.

Singlet oxygen evolution from layered transition metal oxide cathode materials and its implications for lithium-ion batteries

Titanic advance in semiconducting materials

Scientists have synthesized a novel form of titanium nitride, called titanic nitride, which has promising mechanical and optoelectronic properties.

Scientists uncover the story behind ‘oobleck’

Scientists have uncovered the mechanisms that cause a mixture of cornstarch and water known as ‘oobleck’ to switch between a liquid and a solid.