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…

Human-driven carbon emissions have resulted in increased levels of dissolved carbon dioxide in the Earth's oceans. This dissolved carbon dioxide reacts with water to form carbonic acid, which impacts ocean acidity as well as the solubility of carbonate-containing compounds, with far-reaching impacts on marine ecosystems and the human communities…

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 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…

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…

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…

In this paper, we report on the implementation of a novel compute-to-learn pedagogy, which is based upon the theories of situated cognition and meaningful learning. The "compute-to-learn" pedagogy is designed to simulate an authentic research experience as part of the undergraduate curriculum, including project development, teamwork,…