Computation CHANGE TOPIC

Computation and theory news

Computational detective work by a team of researchers has confirmed that cerium zirconium pyrochlore is a 3D quantum spin liquid.

A unique ‘stroboscopic camera' has captured the trajectory of atomic motion as vanadium dioxide transitions from an insulator to a metal.

Researchers have uncovered the previously hidden sub-nanoscale origins of the exceptional thermoelectric properties of silver gallium telluride.

Researchers have combined scanning probe microscopy with machine learning to study the functional properties of materials at the nanoscale.

Researchers have designed a catalyst of ruthenium atoms in a mesh of copper nanowires to extract ammonia and fertilizer from wastewater.

Researchers have discovered layered 2D materials able to host magnetic features called skyrmions that remain stable at room temperature.

Researchers have created synthetic nanoclusters that can organize themselves all the way from the nanometer to the centimeter scale.

Using imaging and modelling, researchers have investigated how the various particles in a battery cathode interact with lithium during use.

A machine-learning system that utilizes experience could speed up the development of optimized production methods for perovskite solar cells.

Improved 3D printing by reducing harmful heat build-up

Using a novel method, researchers can conduct real-time atomic-level observations of grain boundary deformation in poly-grained metallic materials.

Researchers have developed a machine-learning model that can assess the stability of rare-earth compounds.

All electrochemical energy storage mechanisms exist somewhere on a continuum between those that work in batteries and those that work in capacitors.

A novel ‘self-driving lab’ uses artificial intelligence and fluidic systems to advance understanding of semiconductor and metallic nanomaterials.

A new theory of entropy called Zentropy can predict the change in volume of a material as a function of temperature at a multiscale level.

Researchers have used data-driven methods to predict 28 likely representatives of a new class of 2D metal oxides.

carbon fiber-based composite battery electrodes could pave the way for high-performance structural components with energy storage capabilities

Researchers have discovered that magnetism is key to understanding the behavior of electrons in so-called ‘high-temperature’ superconductors.

Adding a bit of liquid electrolyte to a solid-state battery can greatly increase its performance while only having a small impact on safety.

Researchers have developed a novel process for predicting and guiding the ordered creation of strong yet flexible diamond nanothreads.

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Jul ’22

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Jun ’22