The process of diffusion is intimately related to random molecular displacement and is central to many problems in chemistry. Here, we provide an intuitive derivation of the diffusion equation based on the analysis of the random trajectories of particles generated and plotted by simple MATLAB and Python scripts. The codes are very simple and…

In order to improve the accessibility and user friendliness of an accurately pretrained stacking ensemble machine learning regressor used to predict sulfate levels (mg/L) in Acid Mine Drainage (AMD), a Graphical User Interface (GUI) was developed using Python by combining human input with ChatGPT and deployed in the Jupyter Notebook environment.…

Laboratory automation and data science are valuable new skills for all chemists, but most pedagogical activities involving automation to date have focused on upper-level coursework. Herein, we describe a combined computational and experimental lab suitable for a first-year undergraduate general chemistry course, in which these topics are…

An understanding of statistical concepts is necessary for a chemist with a complete education. Here, statistical tests were taught using the R Commander and the Factoshiny packages. These packages run on R software and have a graphical user interface (GUI), which allows students to do statistical tests quickly and easily. These packages were…

An integrated inorganic chemistry laboratory experience focusing on heterogeneous electrocatalysis with nickel (Ni)- and cobalt (Co)-based electrocatalysts is designed for upper-division, major-level chemistry students. In this laboratory, students will be guided through the fabrication of an indium tin oxide (ITO)-coated glass working electrode,…

In education, space exists for a tool that valorizes generic student course evaluation formats by organizing and recapitulating students' views on the pedagogical practices to which they are exposed. Often, student opinions about a course are gathered using a general comment section that does not solicit feedback concerning specific course…

The National Center for Biotechnology Information Entrez Direct (EDirect) software facilitates programmatic access to numerous biomedical, chemical, and literature databases from within a Unix terminal. EDirect has traditionally been used for command line access to NCBI data within the fields of computational biology and bioinformatics. This…

The COVID-19 pandemic has swiftly forced a change in learning strategies across educational institutions, from extensively relying on in-person activities toward online teaching. It is particularly difficult to adapt courses that depend on physical equipment to be now carried out remotely. This is the case for bioinformatics, which typically…

Excluded-volume interactions are ubiquitous to modeling the average size of polymers in solution. This paper shows how simulations can be used by students to explore the emergence of mathematical scaling relations from excluded-volume interactions. Simulations provide robust visual representations of the system, and can be used to investigate a…

Computer vision (CV) is a subfield of artificial intelligence (AI) that trains computers to understand our visual world based on digital images. There are many successful applications of CV including face and hand gesture detection, weather recording, smart farming, and self-driving cars. Recent advances in computer vision with machine learning…

The increasing integration of software and automation in modern chemical laboratories prompts special emphasis on two important skills in the chemistry classroom. First, students need to learn the technical skills involved in modern scientific computing and automation. Second, applying these techniques in practice requires effective collaboration…

We present a simple procedure to make an augmented reality app to visualize any chemical 3D model. The molecular structure may be based on crystallographic data or from computational modeling. This guide is made in such a way that no programming skills are needed, and the procedure uses free software and provides a way to visualize 3D structures…

This paper presents a programming project named NMRviewer that allows students to visualize transformed and processed 1 H NMR data in an accessible, interactive format while allowing instructors to incorporate programming content into the chemistry curricula. Using the MATLAB graphical user interface development environment (GUIDE), students can…

Thermodynamic processes are complex phenomena that can be understood as a set of successive stages. When treating processes, classical thermodynamics (and most particularly, the Gibbsian formulation, predominantly used in chemistry) only pays attention to initial and final states. However, reintroducing the notion of process is absolutely…

The Scientific Computing for Chemists course taught at Wabash College teaches chemistry students to use the Python programming language, Jupyter notebooks, and a number of common Python scientific libraries to process, analyze, and visualize data. Assuming no prior programming experience, the course introduces students to basic programming and…