4 papers
Reticulating Local Dynamics in Three-Dimensional Covalent Organic Frameworks
Francesco Tavani, Saber Mirzaei, M. Saeed Mirzaei +8
In covalent organic frameworks (COFs), the geometry of the building units predetermines the structure of the framework, yet comparable design principles relating the COF linkers to…
Local Structure and Dynamics of Three-Dimensional Covalent Organic Frameworks
Francesco Tavani, Saber Mirzaei, Jian Yin +7
Resolving and controlling the local dynamical properties of covalent organic frameworks (COFs) remains a central challenge, particularly when assembled from large, flexible buildin…
diffpy.morph: Python tools for model independent comparisons between sets of 1D functions
Andrew Yang, Christopher L. Farrow, Pavol Juhás +22
diffpymorph addresses a need to gain scientific insights from 1D scientific spectra in model independent ways. A powerful approach for this is to take differences between pairs…
scikit-package -- software packaging standards and roadmap for sharing reproducible scientific software
S. Lee, C. Myers, A. Yang +2
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are speci…