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4 results about "Active space" patented technology

Quantum enhanced entanglement prediction with adaptive fragmentation

ActiveUS12651191B1Quantum computersShardQuantum chemistry
Disclosed herein are computer systems and methods for predicting orbital entanglement and performing adaptive fragmentation in hybrid classical and quantum computing environments. The system receives molecular geometry data and basis set descriptors, generates atomic and molecular orbital embeddings using an orbital encoder, and predicts orbital entanglement measures via an entanglement prediction head. Quantum processing unit (QPU)-derived entanglement metrics are used to refine prediction accuracy. An orbital entanglement graph is constructed and partitioned into active, bath, and environment subsets according to learned fragmentation thresholds. Fragmentation output data is produced and transmitted to a QPU for execution of correlated electronic structure calculations on active space fragments, enabling efficient, accurate quantum chemistry simulations.
Owner:QPIAI INDIA PTE LTD