High-entropy alloys (HEAs) exhibit exceptional catalytic performance due to their complex surface structures. However, the vast number of active binding sites in HEAs, as opposed to conventional ...

Pressure-induced phase transformations in materials are of interest in a range of fields, including geophysics, planetary sciences, and shock physics. In addition, the high-pressure phases can exhibit ...

Superconductors are materials that conduct electricity without resistance and are essential for several technological advancements, which include medical imaging and energy-efficient technology.

High-throughput computational workflow for the screening of candidate high pressure hydride superconductors, coupling density functional theory (DFT) simulations with machine learning. Credit: Daniel ...

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

Microsoft has added generative artificial intelligence and other enhanced features to its quantum-computing platform as part of a larger strategy to deliver the game-changing technology to a broader ...