AmineBind ML Carbon-Capture Software Licensing
United States of America > ENERGY, DEPARTMENT OF > TRIAD - DOE CONTRACTOR
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Los Alamos National Laboratory is offering exclusive and non-exclusive licensing agreements for AmineBind ML, a Python-based toolkit and trained surrogate model for discovering and optimizing amine-based sorbents used in direct-air carbon capture. The software accepts molecular structures in SMILES format, identifies amine binding sites, calculates chemical descriptors, and predicts CO2 binding energies using a model trained on approximately 20,000 electronic-structure calculations. The technology enables rapid screening and ranking of millions of candidate chemistries substantially faster than density functional theory, helping users balance CO2 uptake, regeneration temperature, and sorbent degradation considerations. It can also integrate atomic-scale predictions with mesoscale modeling and broader materials workflows. The technology is at TRL 3, has a U.S. patent pending, and is identified as software T5090 and LA-UR-26-27826. This is a technology-licensing opportunity, not a request for external development services.
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