Jupyter交互式平台在结构化学教学中的应用——以“单电子原子薛定谔方程”为例

doi:10.3866/PKU.DXHX202203067

Abstract

Abstract:

This paper, taking "Schrödinger equation of single electron atom" as an example, introduces an open-source web platform called Jupyter for teaching structural chemistry, which integrates knowledge presentation, scientific calculation, and data visualization. Assisted by various Python libraries, students can interactively learn theoretical concepts, deduce mathematical formulae, and understand the nature of wave functions, which can enhance the participation and interactivity of structural chemistry teaching and cultivate students' programming ability to solve scientific problems.

Key words: Structural chemistry, Python, Jupyter, Schroödinger equation, Teaching reform

Hao Zhang, Zigui Kan, Zihan Lin, Yuchen Qian, Chengyun Si, Hai Qian. Implementing the Jupyter Interactive Platform in Structural Chemistry Teaching and Learning: Schrödinger Equation of Single Electron Atom[J].University Chemistry, 2023, 38(1): 287-294.

Figures/Tables 8

References 12

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Python库	功能描述	API文档网址
SymPy	公式推导、符号计算	https://docs.sympy.org/latest/index.html
NumPy	数值计算、处理矩阵	https://numpy.org/doc/stable/reference/index.html
SciPy	科学计算、数理公式	https://docs.scipy.org/doc/scipy/reference/
Pandas	数据分析、数据集处理	https://pandas.pydata.org/docs/reference/index.html
Matplotlib	基础绘图	https://matplotlib.org/stable/api/index
Seaborn	统计作图	http://seaborn.pydata.org/api.html
Scikit-Learn	科学计算、机器学习	https://scikit-learn.org/stable/modules/classes.html

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Implementing the Jupyter Interactive Platform in Structural Chemistry Teaching and Learning: Schrödinger Equation of Single Electron Atom

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