Electronic structure and core electron fingerprints of caesium-based multi-alkali antimonides for ultra-bright electron sources.

The development of novel photocathode materials for ultra-bright electron sources demands efficient and cost-effective strategies that provide insight and understanding of the intrinsic material properties given the constraints of growth and operational conditions. To address this question, we propose a viable way to establish correlations between calculated and measured data on core electronic states of Cs-K-Sb materials. To do so, we combine first-principles calculations based on all-electron density-functional theory on the three alkali antimonides CsSb, CsKSb, and CsKSb with x-ray photoemission spectroscopy (XPS) on Cs-K-Sb photocathode samples.

Parallel, distributed and GPU computing technologies in single-particle electron microscopy.

Most known methods for the determination of the structure of macromolecular complexes are limited or at least restricted at some point by their computational demands. Recent developments in information technology such as multicore, parallel and GPU processing can be used to overcome these limitations. In particular, graphics processing units (GPUs), which were originally developed for rendering real-time effects in computer games, are now ubiquitous and provide unprecedented computational power for scientific applications.