A class of materials called solid acids were especially likely to be fast proton conductors, based on computer simulations of ...

Skyrmion-like large hole polaron in the halide double perovskite Cs2AgBiBr6. The arrows show the atomic displacements, and the hole is ...

The team used Frontier with the Large-scale Atomic and Molecular Massively Parallel Simulator software module to simulate a system of ...