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quant-ph2024★ 2 cited
Non-unitary Coupled Cluster Enabled by Mid-circuit Measurements on Quantum Computers
Alexandre Fleury, James Brown, Erika Lloyd +2
Many quantum algorithms rely on a quality initial state for optimal performance. Preparing an initial state for specific applications can considerably reduce the cost of probabilis…
physics.chem-ph2024★ 2 cited
Guided Multi-objective Generative AI to Enhance Structure-based Drug Design
Amit Kadan, Kevin Ryczko, Erika Lloyd +2
Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired p…