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 and assignments. Python, one of the most popular programming languages, is open source, free to use, and has plenty of learning resources. The workshop is designed for students without previous experience in programming, and it aims for a deeper understanding of the complexity of concepts in programming and machine learning. The examples used correspond to real data from physicochemical characterizations of wine, a content that is of interest for students. The contents of the workshop are introduction to Python, basic statistics, data visualization, and dimension reduction, classification, and regression.
The study of gels and their properties is a compelling topic both technologically and scientifically, and should therefore be emphasized in chemistry and material science syllabuses. In the present laboratory experiment, we propose two experiences, aimed at introducing gelation and gel transport properties using silica gels made from sodium silicate and sodium citrate buffer. In particular, gelation times are used to teach kinetics and optical properties to first and second year General Chemistry students. Gelation times are determined by measuring the increment in scattering intensity with a 3D-printed spectrophotometer. The gel transport properties are presented to further exemplify Fickian and non-Fickian behavior through ionic dyes diffusing in gels. A qualitative description is obtained from charge interactions, and a quantitative description utilizing the diffusion coefficient is achieved by analyzing absorbance profiles. These tasks were designed to encourage students to work with unusual topics in a holistic way, approaching new materials, properties, and DIY equipment. Blueprints for the spectrophotometer, resources for instructors, and a detailed students' guide are provided together with a short report model to promote critical discussion of the observations.
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