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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
Gianmarc Grazioli; Adam Ingwerson; David Santiago Jr.; Patrick Regan; Heekun Cho – Journal of Chemical Education, 2023
Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…
Descriptors: Computation, Chemistry, Teaching Methods, Science Education
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
Flannery, William – Physics Teacher, 2019
This paper describes a high school or introductory university course in scientific programming that introduces the computer revolution into the physics curriculum at the beginning. In the first one-hour lecture, Euler's method is presented and used to compute a solution to the analytically unsolvable two-body problem. In the remainder of the…
Descriptors: Science Instruction, Physics, Secondary School Science, High Schools
Vieira, Camilo; Magana, Alejandra J.; García, R. Edwin; Jana, Aniruddha; Krafcik, Matthew – Journal of Science Education and Technology, 2018
Computational tools and methods have permeated multiple science and engineering disciplines, because they enable scientists and engineers to process large amounts of data, represent abstract phenomena, and to model and simulate complex concepts. In order to prepare future engineers with the ability to use computational tools in the context of…
Descriptors: Thermodynamics, Integrated Curriculum, Computation, Learning Modules
Bougot-Robin, Kristelle; Paget, Jack; Atkins, Stephen C.; Edel, Joshua B. – Journal of Chemical Education, 2016
It is not uncommon for students to view laboratory instruments as black boxes. Unfortunately, this can often result in poor experimental results and interpretation. To tackle this issue, a laboratory course was designed to enable students not only to critically think about operating principles of the instrument but also to improve interpretation…
Descriptors: Chemistry, Science Instruction, Laboratory Equipment, Critical Thinking
Bodin, Madelen – Physical Review Special Topics - Physics Education Research, 2012
Solving physics problem in university physics education using a computational approach requires knowledge and skills in several domains, for example, physics, mathematics, programming, and modeling. These competences are in turn related to students' beliefs about the domains as well as about learning. These knowledge and beliefs components are…
Descriptors: Network Analysis, Physics, Programming, College Science