Computation and theory news, September 2016

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.

Zeolites derived from natural minerals: Solid rock and volcanic ash

Heterogeneous electrocatalysts design for nitrogen reduction reaction under ambient conditions

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

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.