Open access
Aug 2025
The quantum ensemble variational optimization algorithm: Applications to molecular inverse design.
The numerical simulations demonstrate the potential of QEVO to design drug-like molecules with anticancer properties, operating in combinatorial spaces composed of up to up to [Formula: see text] solutions, while employing a shallow quantum circuit that requires only a modest number of qubits.
F. Calcagno, Delmar G A Cabral, Ivan Rivalta et al.
· Proceedings of the National... · 0 citations