Adding PIB Energy Calculations to portal

lessons/Particle-in-a-box-energy-calculations.yml.yaml

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+# 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