From Fields to Decisions

We implement a mathematically rigorous partition of electron density into differential gradient bundles (DGBs) and bond bundles. Each substructure has well-defined geometric and energetic properties.

By tracking how these properties covary, we connect local electronic changes to chemical phenomena and material properties.

What You Can Extract

  • Mechanical signals (e.g., cohesion, ductility indicators)

  • Reactivity/catalysis signals (e.g., fieldaligned pathways, bond activation)

  • Interface/transport signals (e.g., descriptors for electron transfer)

Where It Helps

  • Alloys: grain boundary cohesion, composition/process tuning.

  • Enzymes & molecular catalysis: electrostatic preorganization; field steering.

  • Electrochemistry: surfaces and interfaces, charge-transfer kinetics.

  • Energetic materials: sensitivity and performance predictors.

Outputs Designers Can Use

  • Ranked levers (composition, processing, residue swaps, field strengths).

  • Annotated visualizations linking density features to properties.

  • Exportable, lightweight reports for design reviews

Status

Researchgrade capability exists today in FPMDS open tools; FPI is productizing a guided, engineerfriendly experience.