Introducing Machine Learning in Teaching Quantum Mechanics

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Abstract

In this article, we describe an approach to teaching introductory quantum mechanics and machine learning techniques. This approach combines several key concepts from both fields. Specifically, it demonstrates solving the Schrödinger equation using the discrete-variable representation (DVR) technique, as well as the architecture and training of neural network models. To illustrate this approach, a Python-based Jupyter notebook is developed. This notebook can be used for self-learning or for learning with an instructor. Furthermore, it can serve as a toolbox for demonstrating individual concepts in quantum mechanics and machine learning and for conducting small research projects in these areas.

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Pawelkiewicz, M. K., Gatti, F., Clouteau, D., Kokoouline, V., & Ayouz, M. A. (2025). Introducing Machine Learning in Teaching Quantum Mechanics. Atoms, 13(7). https://doi.org/10.3390/atoms13070066

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