QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.
Orbital Entanglement in Bond-Formation Processes
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CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.
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Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.
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CovAngelo: A hybrid quantum-classical computing platform for accurate and scalable drug discovery
CovAngelo implements a QM/QM/MM embedding model using quantum-information metrics to compute reaction energy profiles and barriers for covalent drug binding at lower cost than conventional methods, demonstrated on zanubrutinib to BTK.