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…

Students completing undergraduate majors in chemistry are not typically required to undergo formal training in computer programming or coding. As a result, many chemistry students are graduating without skills in understanding, writing, or manipulating computer code. This skills gap places students at a disadvantage, considering the widespread 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.…

Herein, we present a program implemented in Python that utilizes a simple complete-search algorithm to determine the geometry of a lanthanide-substrate (LS) complex. The program serves as a practical project in a programming course for chemistry students, specifically aimed at illustrating fundamental concepts such as decision-making, repetition,…

We present a detailed yet easy-to-follow discussion of the mathematical treatment of time-resolved spectroscopic data in a model-based approach. This is accompanied and complemented by an example of a colorful and pedagogically rich chemical reaction: the permanganate oxidation of sugars in basic aqueous media (often known as the chameleon…

Introducing elementary concepts of nuclear magnetic resonance spectroscopy (NMR) to a beginner can be challenging. Using an interactive graphical platform can greatly aid in demonstrating key concepts in such cases. This paper aims to bridge this gap in teaching basic NMR spectroscopy through simple standalone interactive Python programs or a…

We report an educational tool for the upper level undergraduate quantum chemistry or quantum physics course that uses a symbolic approach via the PySyComp Python library. The tool covers both time-independent and time-dependent quantum chemistry, with the latter rarely considered in the foundations course due to topic complexity. We use quantized…

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,…

The "maker" movement is gaining widespread attention, especially in the field of laboratory education. Here we have built a low-cost, "do-it-yourself", open-source thermal conductivity cell detector (TCD) for chemical laboratory analysis, which is assembled from thermal conductivity gas sensor elements and 3D-printed flow cell…

The use of three-dimensional printing in chemistry education has expanded greatly in the past 10 years. The technique has been used to demonstrate a range of concepts including molecular structure, orbitals, and point groups; to produce chemical equipment such as cuvettes and columns; and even to print out mathematical shapes and functions. Here,…

In undergraduate physical chemistry, Schrödinger's equation is solved for a variety of cases. In doing so, the energies and wave functions of the system can be interpreted to provide connections with the physical system being studied. Solving this equation by hand for a one-dimensional system is a manageable task, but it becomes time-consuming…

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…

UC Merced's upper-division analytical chemistry course has been modified to include a series of Jupyter notebooks intended to introduce chemistry students to the Python computer language. These Jupyter notebooks were designed to cover a wide variety of topics common to quantitative and instrumental analysis. Assuming no prior programming…

Herein, we present an experience-based learning approach that uses the COVID-19 pandemics knowledge about virus spread and epidemics to establish an analogy between a simple epidemics model--the SIR model (susceptible--infected--removed), and a second-order autocatalytic reaction with subsequent catalyst deactivation. Our approach provides a…

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…