Computation CHANGE TOPIC

Computation and theory news, October 2021

Researchers have discovered that the organic molecules in hybrid organic-inorganic perovskites can actually hamper their photovoltaic efficiencies.

By melding small quasicrystals together, researchers have been able to synthesize large quasicrystals without any grain boundary imperfections.

By applying strain to a multiferroic material, researchers have discovered an exotic new state with a much higher electromechanical response.

A novel machine-learning model that understands symmetry in materials can, for the first time, search an unstructured image database and identify trends.

Researchers have uncovered evidence that grain boundaries in polycrystalline materials don't move as expected when they're heated.

Using machine learning and a form of atomic force microscopy , researchers have mapped the polarization pattern in ferroelectric materials.

Fabricating chalcogenide glasses as nanowires can extend their use into the visible and ultraviolet parts of the electromagnetic spectrum.

By engineering electron donor and electron acceptor materials, researchers can overcome a key loss mechanism in organic solar cells.

Researchers have shown that with a bit of strain and a weak magnetic field they can drive the electrons in strontium niobate to the extreme quantum limit.

Researchers have created a collaborative artificial intelligence tool that reduces the time and effort required to discover truly new materials.

calculations identify diffusion paths of Se in CdTe, boosting thin film solar cell efficiency

Researchers have developed a computational model that can accurately determine the effect of sputtering on complicated, rough surfaces.

Researchers have shown that the odd harmonics of light can be used to study twisted, or chiral, nanoparticles and molecules.

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