Bradley D. Dice

TL;DR: The freud Python package provides the core tools for finding particle neighbors in periodic systems, and offers a uniform API to a wide variety of methods implemented using these tools, enabling analysis of a broader class of data ranging from biomolecular simulations to colloidal experiments.

TL;DR: More than 150,000 photonic band calculations for thousands of natural crystal templates from which they predict 351 photonic crystal templates - including nearly 300 previously-unreported structures - that can potentially be realized for a multitude of applications and length scales, including several in the visible range via colloidal self-assembly as discussed by the authors.

TL;DR: In this paper, the authors studied the role of geometric frustration and demixing in determining the critical cooling rate R(c) for ternary hard-sphere systems, and found that when the diameter ratios are close to 1, such that the largest (A) and smallest (C) species are well-mixed, the glass-forming ability of such systems is no better than that of the optimal binary glass former.

TL;DR: This talk showcases signac, an open-source Python framework that offers highly modular and scalable solutions for versatile data and workflow management tools that can easily adapt to the highly dynamic requirements of scientific investigations.

TL;DR: Simulation of ternary hard-sphere systems, which have been shown to be accurate models for the glass-forming ability of BMGs, are performed to understand the roles of geometric frustration and demixing in determining R(c), and two distinct regimes for the GFA in parameter space are found.