What We Do
Visualize charge density with intent.
Convert voluminous tables and fields into interpretable maps tied to strength, reactivity, and transport.
Analyze structure → property.
Quantify how local electronic substructures drive global behavior.
Guide decisions.
A workflow and (ultimately) an expert system to walk you from simulations/measurements to ranked interventions: alloying, processing, functional group changes, field control, etc.
Why This Matters
Groundstate properties derive from the electron charge density. We partition that density into rigorously defined differential gradient bundles and bond bundles, exposing descriptors that correlate with mechanical, catalytic, and reactive performance. The result: firstprinciples feedback a designer can actually use.
Who It’s For
Materials developers: alloys, ceramics, energy materials, coatings.
Chemists & catalysis teams: enzymes, molecular catalysts, electrocatalysts.
R&D leaders: seeking reproducible, physics‑grounded design signals.
In The Pipeline
Interactive density viewers with design overlays (bond‑bundle metrics, stability flags, field sensitivities).
Automated reporting that translates analysis into ranked design recommendations.
APIs/plug‑ins for common electronic‑structure codes and visualization platforms.
Education kits that bring charge‑density thinking into the undergraduate lab.