QC Ware Speeds Up Molecular Simulations with Hybrid Quantum-Classical Workflow

QC Ware recently showcased a technology demonstration of a hybrid quantum-classical computational chemistry workflow using Promethium and IBM Quantum hardware. The demo calculated electrostatic interaction energy for nitric oxide reductase by combining GPU-accelerated molecular modeling with classical chemistry methods and quantum measurements on IBM's 156-qubit Heron superconducting quantum processor.

The demonstration highlights how Promethium can be used alongside quantum hardware in scientifically relevant workflows. Nitric oxide reductase is a chemically complex metalloenzyme system, making it a relevant benchmark for evaluating advanced computational methods. The workflow focused on electrostatic interaction energy, an important molecular property in drug discovery, catalysis, and materials science.

QC Ware's Co-Founder and COO, Dr. Kin-Joe Sham, stated that the demonstration shows how classical and quantum computing can be combined to address meaningful computational chemistry problems. 'We believe Promethium delivers high-performance computational chemistry today while providing a foundation for exploring future hybrid workflows.'

Promethium is a GPU-native architecture that enables researchers to apply quantum chemistry across larger molecular systems and more compounds than has traditionally been practical. For selected workloads, Promethium runs demanding calculations up to 20× faster than conventional platforms.