Our third computing grant, the second one in CSCS (Swiss National supercomputer), has been accepted!
The project proposes a vital study of unconventional high-performance p-type transparent conductor materials. For the following 2 years, we will have access to 1.4 Million computing node hours in the fastest supercomputer in Europe! The supercomputer is hosted by the Swiss National Supercomputing Centre, Centro Svizzero di Calcolo Scientifico (CSCS).
High-throughput studies are gaining increasing popularity as a tool for predicting p-type transparent conductors. However, the lack of appropriate descriptors makes the efficient screening of materials for this purpose challenge. Yet, to identify and validate novel descriptors, more robust data on non-oxide p-type transparent conductors is needed. Towards this goal, we suggest an in-depth investigation of the p-type propensity of all recently speculated, but not experimentally verified, p-type TC materials through an exhaustive study of native defects. Subsequent optimization of the most promising materials through external doping will allow us to mobilize the experimental community to follow up on the outputs of our studies.
Coming months surely will be freighted with exciting news!