[Calculation Example Released] Calculation and Verification of Methanol Synthesis Catalysts

We have published a new Matlantis application example on the calculation examples page.
In this case study, a multi-structure model was employed to investigate methanol synthesis catalysts for CO₂ hydrogenation, successfully reproducing behavior that a single-structure model could not capture. As dopant candidates, 72 elements were systematically screened, and experiments also confirmed improved methanol yield in the high-temperature range.

Read the full article here: Calculation and Verification of Methanol Synthesis Catalysts