Software
AQCat Adsorption Spin
Machine-learning model for catalyst adsorption and spin-polarization analysis.
by SandboxAQ
Software
sandboxaq.com/solutions/models- Milestones0
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Machine-learning model for catalyst adsorption and spin-polarization analysis.
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- 1.CompanyLQM Models | SandboxAQ
SandboxAQ · Supports: System
“## AQCat Adsorption Spin AQCat is a machine learning interatomic potential, trained on 13.5 million quantum chemistry calculations across 47,000 catalyst systems, that predicts catalyst performance up to 20,000 times faster than conventional physics-based methods while approaching their accuracy. It uniquely models spin polarization for magnetic, earth-abundant metals such as iron, nickel, and cobalt, filling a data gap that leading catalyst datasets and models leave open while matching their accuracy elsewhere.”
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