/tools/DFT_PIB_Code

DFT_PIB_Code

tjz21/DFT_PIB_Code

78 stars12 forksJupyter NotebookAdded February 4, 2026
summary

DFT_PIB_Code is a collection of interactive Jupyter Notebooks designed to teach the fundamentals of Density-Functional Theory (DFT) through visualizations and practical examples. It allows users to explore molecular properties and behaviors using DFT, making it a valuable educational resource in computational chemistry.

description

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

topics

chemistrycomputational-chemistrydensity-functional-theorydfteducationaljupyterjupyter-notebookpythonquantum-chemistrytutorial

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