QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry.

We present the QMflows Python package for quantum chemistry workflow automatization. QMflows allows users to write complex workflows in terms of simple Python scripts. It supports the development of interoperable workflows involving multiple quantum chemistry codes and executes them efficiently on large scale parallel computers. This open source library provides standardized interfaces to a number of quantum chemistry packages and can be easily extended to accommodate additional codes. QMflows features are described and illustrated with a number of representative applications.

The cosmic spiderweb: equivalence of cosmic, architectural and origami tessellations.

For over 20 years, the term 'cosmic web' has guided our understanding of the large-scale arrangement of matter in the cosmos, accurately evoking the concept of a network of galaxies linked by filaments. But the physical correspondence between the cosmic web and structural engineering or textile 'spiderwebs' is even deeper than previously known, and also extends to origami tessellations. Here, we explain that in a good structure-formation approximation known as the adhesion model, threads of the cosmic web form a spiderweb, i.e. can be strung up to be entirely in tension. The correspondence is exact if nodes sampling voids are included, and if structure is excluded within collapsed regions (walls, filaments and haloes), where dark-matter multistreaming and baryonic physics affect the structure. We also suggest how concepts arising from this link might be used to test cosmological models: for example, to test for large-scale anisotropy and rotational flows in the cosmos.