iSWAP gate with polar molecules: Robustness criteria for entangling operations

Ultracold polar molecules in optical lattices or tweezer arrays offer a promising platform for quantum information processing and simulation, thanks to their rich internal structure and long-range dipolar interactions. Recent experimental advances now allow precise control over individual molecules, enabling two-qubit gates based on the iSWAP gate. A key challenge is however the sensitivity to variations of the dipole-dipole interaction strength - stemming from motion of the molecules and uncertainty on the precise positioning of external confining potentials - that limits current gate fidelities. To address this, we develop a quantum optimal control framework, based on a perturbative approach, to design gates that are robust with respect to quasi-static deviations of Hamiltonian parameters, and provide criteria to evaluate a priori whether a gate can be made robust for a given control Hamiltonian. By applying these criteria to exchange-coupled qubits, as polar molecules, we demonstrate that robustness cannot be achieved with global controls only, but can be attained by breaking the exchange symmetry through local controls, such as a local detuning. We determine the robust time-optimal solution for realizing an iSWAP gate, show that the control pulses can be designed to be smooth functions, and achieve theoretical gate fidelities compatible with error correction under realistic parameters. Additionally, we show that certain entangled state preparations, such as Bell states, can be made robust even with global controls only. We demonstrate that, under the adiabatic approximation - where molecular motion occurs on timescales faster than that of the exchange interaction - the noise arising from thermal motion can be effectively treated as quasi-static variations of Hamiltonian parameters. This allows us to extend our treatment to the concrete experimental case of polar molecules.