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Elizabeth Stippell; Alexey V. Akimov; Oleg V. Prezhdo – Journal of Chemical Education, 2023
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…
Descriptors: Undergraduate Students, College Science, Quantum Mechanics, Chemistry
Hinterberger, Elizabeth; Ackerly, Erin; Chen, Yingjie; Li, Yuguang C. – Journal of Chemical Education, 2021
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…
Descriptors: Chemistry, College Science, Science Instruction, Science Laboratories
Jingjing Qiu; Anneke Moeller; Janet Zhen; Hansen Yang; Lily Din; Nicole Adelstein – Journal of Chemical Education, 2023
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,…
Descriptors: Programming Languages, Computer Software, Computer Simulation, Educational Technology
Green, Michael; Chen, Xiaobo – Journal of Chemical Education, 2020
For undergraduate students to be prepared for graduate school and industry, it is imperative that they understand how to merge the theoretical insights gleaned through their undergraduate education with the raw data sets acquired through materials analysis. Thus, the ability to implement data analysis is a vital skill that students should develop.…
Descriptors: Undergraduate Students, Data, Chemistry, Programming Languages
Thrall, Elizabeth S.; Lee, Seung Eun; Schrier, Joshua; Zhao, Yijun – Journal of Chemical Education, 2021
Techniques from the branch of artificial intelligence known as machine learning (ML) have been applied to a wide range of problems in chemistry. Nonetheless, there are very few examples of pedagogical activities to introduce ML to chemistry students in the chemistry education literature. Here we report a computational activity that introduces…
Descriptors: Undergraduate Students, Artificial Intelligence, Man Machine Systems, Science Education
Menke, Erik J. – Journal of Chemical Education, 2020
UC Merced's upper-division analytical chemistry course has been modified to include a series of Jupyter notebooks intended to introduce chemistry students to the Python computer language. These Jupyter notebooks were designed to cover a wide variety of topics common to quantitative and instrumental analysis. Assuming no prior programming…
Descriptors: Science Instruction, Chemistry, College Science, Undergraduate Study
Srnec, Matthew N.; Upadhyay, Shiv; Madura, Jeffry D. – Journal of Chemical Education, 2017
In undergraduate physical chemistry, Schrödinger's equation is solved for a variety of cases. In doing so, the energies and wave functions of the system can be interpreted to provide connections with the physical system being studied. Solving this equation by hand for a one-dimensional system is a manageable task, but it becomes time-consuming…
Descriptors: Undergraduate Study, College Science, Chemistry, Science Instruction
Weiss, Charles J. – Journal of Chemical Education, 2017
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…
Descriptors: Science Instruction, College Science, Chemistry, Computer Uses in Education