Design begins with visualization

From electron density to decisions—guided visualization turns first-principles (DFT & Xray) electron density data into decision-ready guidance for complex materials and molecular design (e.g., alloys, catalysts, and artificial enzymes)—what to change, where, and why.

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: first-principles feedback a designer can actually use.