Computational products for every stage of R&D.

LightGBM model, R²=0.933 on held-out equilibrium structures, trained on 204K corroborated structures. Performance on novel compositions may vary.

Prioritize stable compounds before you spend simulation budget.

Scores from 0-1 based on agreement across 9 independent DFT databases.

Know how much corroboration sits behind a result.

Find materials like NMC811 but without cobalt using compositional and property context.

Search by analogy, not just exact formula match.

Paste 500 formulas and get ranked triage in roughly 10 seconds.

Move from raw lists to an ordered backlog fast.

Search 306K patents by composition, assignee, and technical whitespace.

Bring IP context into the first pass, not the last.

Generate IP-exploration candidates scored across stability, synthesis, supply chain, and patent whitespace in one pass.

Turn warehouse data into well-documented invention disclosures.

Find compositions that are thermodynamically stable, synthesizable, and with no identified patent coverage in the indexed corpus.

Explore open space in the indexed patent corpus.

Traverse 558K cross-domain edges connecting materials across 7 relationship types in a single BFS call.

Discover non-obvious connections between materials, properties, and applications.

Upload 50 cycles and get full-lifetime prediction and degradation context.

Project battery behavior forward from early cycling data.

One report spanning ranking, synthesis, lifecycle, supply, IP, and similar materials.

Replace six disconnected reviews with one decision frame.

Electrochemical models with warehouse parameter sets for scenario testing.

Run electrochemical scenarios on governed parameters, not ad hoc assumptions.

Position HER, OER, and CO₂RR catalysts on the right volcano in one call.

See catalytic tradeoffs in the language your team already uses.

5-dimensional composite score: DFT hull distance, experimental synthesis evidence, cross-source agreement, MC3D validation, and COD crystal confirmation.

Go beyond formation energy — measure real-world synthesizability.

Ranked packages with synthesis, timeline, cost, and patent context in one deliverable.

Move from candidate lists to a decision-ready package.

109 alternatives for LiMn₂O₄ mapped across 852 recipe examples.

Find realistic precursor swaps instead of theoretical substitutes.

Element-level HHI scoring with suggested alternatives for exposed chemistries.

See sourcing fragility at the composition level.

Balance capacity, cost, risk, and qualification time on one frontier.

Stop arguing from one metric at a time.

A complete research deliverable generated from one composition-level API call.

Turn one material request into a joined research brief.

Search 304K USGS MRDS mineral deposits across 166 countries with criticality scoring and co-product analysis.

Understand supply geography before it becomes a supply problem.

Screen wide-bandgap oxide candidates for space and defense radiation environments using DFT-validated properties.

Find radiation-tolerant materials before they fail in orbit.