Graph-Theoretic Visualization of Ion Conduction Pathways: Tutorial Code

This replication package provides the code and tutorial materials for visualizing ion conduction pathways using graph-theoretic methods, authored by Maria Gomez and colleagues. Updated in March 2026, the collection supports the methodologies presented in the MRS Bulletin publication 'Graph-Theoretic Visualization of Ion Conduction Pathways: Concepts and a Tutorial.'

Use Cases

• Implementing graph-theoretic visualizations of ion pathways in chemical simulations
• Educational application of ion conduction modeling as described in the MRS Bulletin tutorial
• Validating ion conduction pathway algorithms against the provided replication code

Strengths

• Directly replicates results from an MRS Bulletin tutorial
• Authored by academic experts in computational chemistry
• Provides specialized graph-theoretic implementations for physics and chemistry

Limitations

• Lack of metadata regarding specific file formats or record counts
• Utility is highly dependent on access to the associated research paper
• Unknown license status may restrict commercial reuse

Provenance

Source

Harvard Dataverse

Collection Method

Derived from chemical simulations and mathematical modeling for tutorial purposes

Freshness

Last updated March 10, 2026.