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Python and Jupyter are becoming increasingly popular tools for computationalphysics and chemistry research and education. Interactive notebooks are aprecious tool for creating graphical user interfaces and teaching materials,and Jupyter widgets constitute the core of their interactive functionality.Packages and libraries which offer a broad range of widgets for generalpurposes exist, but the lack of specialized widgets for computational physics,chemistry and materials science implies significant time investments for thedevelopment of effective Jupyter notebooks for research and education in thesedomains. Here, we present custom Jupyter widgets that we have developed totarget the needs of these research and teaching communities. These widgetsconstitute high quality interactive graphical components and can be employed,for example, as tools to visualize and manipulate data, or to explore differentvisual representations of concepts, illuminating the relationships existingbetween them. In addition, we discuss the JupyterLab extensions that wedeveloped to modify the JupyterLab interface for an enhanced user experiencewhen working with various applications within the targeted scientific domains.

Jupyter widgets and extensions for education and research in computational physics and chemistry