Gaussian-2-Blender is an open-source application programming interface (API) written in Python that allows for the conversion of Gaussian input files to 3D objects of different formats. This new tool was developed in response to the shortcomings of available programs to import Gaussian calculations into augmented reality (AR) or virtual reality…

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…

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…

Electrochemistry is a branch of chemistry concerned with the interrelation of electrical and chemical effects, in which mathematical equations are employed to describe the fundamental principles of electrode processes and measurement methods. In this work, we present a graphical simulation that provides visual observations of dynamical behavior…

This paper shows a method for integrating computer programming into a standard physical chemistry laboratory sequence to augment student data analysis abilities and allow them to carry programming skills forward to other courses. The Python programming language is used, taking advantage of the pedagogical benefits of Jupyter notebooks, primarily…

Proper sampling techniques are of the utmost importance in obtaining accurate and precise results in chemical analysis. A Python language computer simulation providing fast feedback on sampling concepts and statistics was delivered to students through Google Colab. Students used the simulation to aid in their exploration of sampling and sampling…

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…

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…

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…

This study presents a low-cost Arduino-based gas chromatography system that is suitable for teaching analytical chemistry in an undergraduate laboratory. The gas chromatography system is built with commonly available materials with a total cost less than $100. A Python code is also provided as a user interface that will record data and display the…

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,…

Chemistry simulations using interactive graphic user interfaces (GUIs) represent uniquely effective and safe tools to support multidimensional learning. Computer literacy and coding skills have become increasingly important in the chemical sciences. In response to both of these facts, a series of Jupyter notebooks hosted on Google Colaboratory…

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…

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…