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Lafuente, Deborah; Cohen, Brenda; Fiorini, Guillermo; Garci´a, Agusti´n Alejo; Bringas, Mauro; Morzan, Ezequiel; Onna, Diego – Journal of Chemical Education, 2021
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…
Descriptors: Undergraduate Students, Chemistry, Electronic Learning, Artificial Intelligence
Babak Mahjour; Andrew McGrath; Andrew Outlaw; Ruheng Zhao; Charles Zhang; Tim Cernak – Journal of Chemical Education, 2023
Data science is becoming a mainstay in research. Despite this, very few STEM graduates matriculate with basic formal training in programming. The current lesson plan was developed to introduce undergraduates studying chemistry or biology to chemoinformatics and data science in medicinal chemistry. The objective of this lesson plan is to introduce…
Descriptors: Undergraduate Students, Chemistry, Biology, Information Science
Simon D. Weaver; G. Alex Ambrose; Rebecca J. Whelan – Journal of Chemical Education, 2022
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…
Descriptors: Coding, Undergraduate Students, Majors (Students), Chemistry
Taskeen Hasrod; Yannick B. Nuapia; Hlanganani Tutu – Journal of Chemical Education, 2024
In order to improve the accessibility and user friendliness of an accurately pretrained stacking ensemble machine learning regressor used to predict sulfate levels (mg/L) in Acid Mine Drainage (AMD), a Graphical User Interface (GUI) was developed using Python by combining human input with ChatGPT and deployed in the Jupyter Notebook environment.…
Descriptors: Artificial Intelligence, Natural Language Processing, Educational Technology, Computer Software
Enze Chen; Mark Asta – Journal of Chemical Education, 2022
With the growing desire to incorporate data science and informatics into STEM curricula, there is an opportunity to integrate research-based software and tools (e.g., Python) within existing pedagogical methods to craft new, accessible learning experiences. We show how the open-source Jupyter Book software can achieve this goal by creating a…
Descriptors: Programming, Open Source Technology, STEM Education, Textbooks
Rachel Clune; Avishek Das; Dipti Jasrasaria; Elliot Rossomme; Orion Cohen; Anne M. Baranger – Journal of Chemical Education, 2023
A student-led mathematics bootcamp has been designed and implemented to help foster community building, improve confidence in mathematical skills, and provide mathematical resources for incoming physical chemistry doctoral students. The bootcamp is held immediately before the start of the first semester of graduate school and uses an active…
Descriptors: Chemistry, Graduate Students, Workshops, Mathematics Skills
Yifan Li; Anmin Liu; Runming Si; Leyan Liu; Qidong Zhao – Journal of Chemical Education, 2024
The plate and frame filtration experiment is one of the essential experiments performed by undergraduate students during their practical education. While this experiment often relies on the conventional manual recording of data and calculation, there are frequent problems with data collection because capturing transient data of filtrate volume and…
Descriptors: Internet, Automation, Undergraduate Study, College Science
Wang, Xuefei; Wang, Zhuo – Journal of Chemical Education, 2022
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…
Descriptors: Chemistry, Simulation, Equations (Mathematics), Observation
Alexander J. Norquist; Gabriel Jones-Thomson; Keqing He; Thomas Egg; Joshua Schrier – Journal of Chemical Education, 2023
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…
Descriptors: Laboratory Experiments, Measurement Techniques, Chemistry, Science Instruction
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
Ardith D. Bravenec; Karen D. Ward – Journal of Chemical Education, 2023
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…
Descriptors: Chemistry, Interaction, Computer Simulation, Undergraduate Students
Benjamin B. Hoar; Roshini Ramachandran; Marc Levis-Fitzgerald; Erin M. Sparck; Ke Wu; Chong Liu – Journal of Chemical Education, 2023
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…
Descriptors: Chemistry, Science Instruction, Large Group Instruction, Teaching Methods
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