Machine learning, a subdomain of artificial intelligence, is a widespread technology that is molding how chemists interact with data. Therefore, it is a relevant skill to incorporate into the toolbox of any chemistry student. This work presents a workshop that introduces machine learning for chemistry students based on a set of Python notebooks…

Data science is becoming a mainstay in research. Despite this, very few STEM graduates matriculate with basic formal training in programming. The current lesson plan was developed to introduce undergraduates studying chemistry or biology to chemoinformatics and data science in medicinal chemistry. The objective of this lesson plan is to introduce…

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…

With the growing desire to incorporate data science and informatics into STEM curricula, there is an opportunity to integrate research-based software and tools (e.g., Python) within existing pedagogical methods to craft new, accessible learning experiences. We show how the open-source Jupyter Book software can achieve this goal by creating a…

A student-led mathematics bootcamp has been designed and implemented to help foster community building, improve confidence in mathematical skills, and provide mathematical resources for incoming physical chemistry doctoral students. The bootcamp is held immediately before the start of the first semester of graduate school and uses an active…

The plate and frame filtration experiment is one of the essential experiments performed by undergraduate students during their practical education. While this experiment often relies on the conventional manual recording of data and calculation, there are frequent problems with data collection because capturing transient data of filtrate volume and…

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 "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…

This work covers a three-week program designed to provide undergraduate students with a background in structural chemistry and materials science. Sessions are based on the programming of regular polyhedra and their geometrical relationships by using an object-oriented language (i.e., POV-Ray). Three lectures introduce the basics of programming…

Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…

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,…

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…