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.

Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They ...

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