diff --git a/lessons/Particle-in-a-box-energy-calculations.yml.yaml b/lessons/Particle-in-a-box-energy-calculations.yml.yaml new file mode 100644 index 0000000..35e0670 --- /dev/null +++ b/lessons/Particle-in-a-box-energy-calculations.yml.yaml @@ -0,0 +1,165 @@ +# lessons/particle-in-a-box-energy-calculations.yml +# +# STARTER TEMPLATE FOR ACT-CMS LESSON PORTAL SUBMISSION +# Replace all placeholder text with your actual lesson information +# Remove any sections that don't apply to your lesson + +# BASIC METADATA (REQUIRED) +# Use a clear, descriptive title that includes the main topic +title: "Particle in a Box Energy Calculations" + +# Brief description for search results (1-2 sentences) +description: "Students will calculate energy levels for particle in a box, examine how box length changes these levels, and predict absorption wavelength" + +# Longer description for the lesson page (use | for multi-line text) +expanded_description: | + By completing this module students will examine the energies of a 1, 2, and 3-D box. + Students will calculate both individual energy levels and differences in energy levels. + + +# COURSE INFORMATION (REQUIRED) +# Choose ONE: "None", "Beginner", "Intermediate", "Advanced" +programming_skill: "Beginner" +# None: No programming experience. +# Beginner: Knows variables, conditionals, loops +# Intermediate: Can write their own scripts from scratch +# Advanced: Can write/develop software. + +# Examples: "Foundational Module", "Physical Chemistry", "Organic Chemistry", +# "Inorganic Chemistry", "Analytical Chemistry", "Biochemistry", "Materials Science", "Other" +primary_course: "Physical Chemistry" + +# List other courses where this lesson could be used (optional) +also_for: + - "Physical Chemistry Lab" + +# List all authors +authors: + - "Prof. Cecilia Vollbrecht" + +# Estimated total time for all materials +estimated_time: "1-2 hours" + +# Format of the module. Must be EXACTLY one of these two values (case- and +# spelling-sensitive) so the home-page format filter groups lessons correctly: +# "Single Notebook" or "Multi-Part Module" +format: "Single Notebook" + +# INSTRUCTOR INFORMATION (OPTIONAL) +# Contact email for instructor access requests (optional - will use default if not specified) +instructor_email: "cecilia.vollbrecht@kzoo.edu" +# Note: Instructor materials will be located at: instructor-repo/{lesson-filename}/ +# where {lesson-filename} matches this YAML file's name + +# INSTRUCTOR DETAILS (OPTIONAL) +# What level of students was this piloted with? +student_level: "Undergraduate - Third Year" # e.g., "Graduate", "Undergraduate - First Year", "Mixed Graduate/Undergraduate" +# How many students has this been tested with? +students_piloted: 7 # Number of students +# Free-form notes for instructors +instructor_notes: | + Additional context for instructors using this lesson: + This activity was piloted with students working on their own document but collaborating in pairs. + The set up allowed students to help each other and learn to troubleshoot better. + A lot of material was covered before the module, and the module was designed more to help students practice calculations + and see visualizations than to learn new concepts. + + + +# Related lessons that complement this one +related_modules: + - "fooddye-uvvis-tddft" + - "Harmonic-Oscillator-Energy-Calculations" + - "vibronic-spectrum-of-iodine" + - "orthonormal-wavefunctions" + - "absorption-of-conjugated-dyes-with-finite-well-PIB" + +# OPTIONAL: Lessons students should complete BEFORE this one. +# Values are lesson IDs (YAML filenames without .yml) — unlike the free-text +# scientific_prerequisites/programming_prerequisites fields below, these are +# strictly build-validated: unknown IDs, self-references, or circular +# prerequisite chains FAIL the build. Machine-readable metadata (searchable +# on the portal); ordered sequences are displayed via paths.yml instead. +prerequisite_modules: + - "foundational-intro-python" + +# NOTE: To add this lesson to an ordered learning path (or create a new one), +# edit paths.yml at the repo root — step order is defined there, not here. + +# REPOSITORY URLS (REQUIRED) +# Link to the repository containing your public material +public_repo_url: "https://github.com/act-cms/Particle-In-A-Box-Energy-Calculations" + +# MATERIALS SECTION (REQUIRED) +# List each notebook/material in logical order +materials: + - title: "Particle in a Box Energy Calculations" + description: "This notebook covers calculating energy levels using the particle in a box model, comparing energy levels as box length changes, and calculating energy level differences in both energy and wavelength" + type: "notebook" # Usually "notebook", could be "slides", "dataset", etc. + duration: "1-2 hour" + + # REQUIRED: Include at least one URL (preferably both) + # Direct link to notebook file on GitHub + github_url: "https://github.com/act-cms/your-lesson-repo/blob/main/01-intro.ipynb" + # Google Colab launch link (recommended for accessibility) + colab_url: "https://colab.research.google.com/github/act-cms/your-lesson-repo/blob/main/colab-notebooks/01-intro.ipynb" + + # Learning objectives specific to this material + objectives: + - "Determine energy levels of a 1, 2, and 3-D particle in a box model" + - "Calculate differences in energy levels and the wavelength they correspond to" + - "Create visualizations of energy levels with changing box length" + + +# LEARNING OBJECTIVES (REQUIRED) +# What molecular science concepts will students learn? +scientific_objectives: + - "Apply programming to solve chemical problems" + - "Understand the particle in a box model through computational analysis" + - "Calculate energy levels of particles in a box (1-D and 2-D)" + - "Convert energy to wavelength to predict what wavelength molecules will absorb" + - "Predict how energy levels will change when box length changes or particle mass changes" + - "Interpret results of computational molecular science calculations" + +# What computational/programming skills will students develop? +cyberinfrastructure_objectives: + - "Write and execute Python code in Jupyter notebooks" + - "Set constants and use functions" + - "Use if and for loops" + - "Create plots" + - "Create and use arrays and matrices" + +# PREREQUISITES (REQUIRED) +# What science background do students need? +scientific_prerequisites: + - "General chemistry" + - "Basic understanding of particle in a box model" + +# What programming experience is assumed? +programming_prerequisites: + - "Basic python syntax" + # OR: eg "Basic Python syntax (variables, loops, functions)" + +# PLATFORM SUPPORT (REQUIRED) +# List platforms where your materials can be used. Each value must be one of +# the supported platforms (spelling and capitalization matter): +# "Google Colab", "Local Installation", "ChemCompute", "CoCalc" +# Any other value fails the build (no rendering template exists for it). +platforms: + - "ChemCompute" + - "Local Installation" + - "Google Colab" + +# Which platform do you recommend for most users? +# Pick exactly ONE platform name, and it must match an entry in the `platforms` +# list above EXACTLY (same spelling and capitalization). Do NOT combine several, +# e.g. "Google Colab, ChemCompute" is invalid and fails the build. +recommended_platform: "ChemCompute" + +# METADATA (REQUIRED) +# Tags help with searching - use relevant keywords +tags: + - "python" + - "physical-chemistry" + - "visualization" + - "quantum-chemistry" # Use appropriate scientific area tags \ No newline at end of file