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…

In the resolution of problems in chemical kinetics and catalysis the mathematical models relate the independent variable that is usually time, with the dependent variable which is normally the concentration of a reactant. They conform to linear models, whose parameters such as the ordering to origin and the slope are kinetic parameters, applying…

A simple computer interface for controlling a compact spectrograph for use as a spectrophotometer in an undergraduate teaching laboratory was developed. The project was implemented on a Raspberry Pi computer which permits the integration of a light source into the software. The interface was written in Python to facilitate modification by the user…

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…

The interactive generation of chemical-structure diagrams is an integral activity in the study of chemistry as well as in professional chemistry environments. For educational purposes in particular, the existence of suitable software tools free of charge is of great importance. Although a number of free chemical-drawing applications are currently…

A novel technology that employs computer vision (CV) to carry out an automatic titration experiment is presented. The experiment is designed to facilitate understanding of the basics of the CV technology and its application in chemistry among undergraduate students. The standard chemical procedure of titration has been chosen, since it is…

Virtually all modern chemical instrumentation is controlled by computers. While software packages are continually becoming easier to use, allowing for more researchers to utilize more complex instruments, conveying some level of understanding as to how computers and instruments communicate is still an important part of the undergraduate…

BufCap TOPOS is free software that generates 3-D topographical surfaces ("topos") for acid-base equilibrium studies. It portrays pH and buffer capacity behavior during titration and dilution procedures. Topo surfaces are created by plotting computed pH and buffer capacity values above a composition grid with volume of NaOH as the x axis…

This work developed the Flint, Michigan water crisis as a modular case study for teaching traditional analytical chemistry concepts through the medium of environmental justice, power, and equity. An interdisciplinary framework was used to design, implement, and assess the case study in an effort to understand how the deliberate presence of…

This research aimed at describing the effectiveness of the macromedia flash based inquiry learning in improving students' concept understanding in chemistry learning. It was an experimental research with post-test only design. The population was the eleventh-grade science students of state high school 5 Yogyakarta, Indonesia. The sample in this…

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…

Matrix diagonalization, the key technique at the heart of modern computational chemistry for the numerical solution of the Schrödinger equation, can be easily introduced in the physical chemistry curriculum in a pedagogical context using simple Hückel molecular orbital theory for p bonding in molecules. We present details and results of…

The gap between graduate research and introductory undergraduate teaching laboratories is often wide, but the development of teaching activities rooted within the research environment offers an opportunity for undergraduate students to have first-hand experience with research currently being conducted and for graduate students to develop…

This laboratory was developed by undergraduate students in collaboration with the course instructor as part of a peer-developed and peer-led lab curriculum in a general chemistry course. The goal was to explore the hypothesis that crystal violet lactone was responsible for the thermochromic properties of a sipping straw using a FT-IR for…