Simulate & Predict
See catalytic tradeoffs in the language your team already uses.
Sabatier Volcano Engine
Map catalyst candidates onto HER, OER, or CO₂RR volcano relationships so you can quickly see whether a material is under-binding, over-binding, or close enough to the peak to warrant deeper work.
Key outcomes
HER / OER / CO₂RR
supported volcano families
One call
to position a candidate
Peak distance
returned for ranking
What goes in
Inputs this feature expects
- Catalyst candidate identifiers or descriptor values
- Chosen reaction family and screening objective
- Optional comparative baselines or incumbent catalysts
What comes out
Outputs your team can act on
- Volcano position and distance-from-peak context
- A more explainable catalyst ranking signal
- Quick identification of promising candidates to investigate further
Workflow
How teams use Sabatier Volcano Engine
01
Choose the reaction family
Pick HER, OER, or CO₂RR depending on the catalyst program you are running.
02
Evaluate candidate placement
Lattice Graph maps the candidate onto the appropriate volcano relationship.
03
Promote or reject quickly
Use proximity to the peak as an explainable filter before deeper modeling or experiments.
Best fit
Where this feature adds the most leverage
- Catalyst programs screening many early candidates
- Teams that need explainable descriptor-based ranking
- Connecting simulation outputs to experimental intuition
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