We show that quantum-number-preserving ansatzes for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using native Hubbard dynamics, trial ground states of molecular Hamiltonians can be prepared and their molecular energies measured in the lattice. The scheme requires local control over interactions and chemical potentials and global control over tunneling dynamics, but foregoes the need for optical tweezers, shuttling operations, or long-range interactions. We describe a complete compilation pipeline from the molecular Hamiltonian to the sequence of lattice operations, thus providing a concrete link between quantum simulation and chemistry. Our work enables the application of recent quantum algorithmic techniques, such as double factorization and quantum tailored coupled cluster, to present-day fermionic optical lattice systems with significant improvements in the required number of experimental repetitions. We provide detailed quantum resource estimates for small nontrivial hardware experiments.
We show that quantum-number-preserving ansatzes for variational optimization in quantum chemistry find an elegant mapping to ultracold fermions in optical superlattices. Using native Hubbard dynamics, trial ground states of molecular Hamiltonians can be prepared and their molecular energies measured in the lattice. The scheme requires local control over interactions and chemical potentials and global control over tunneling dynamics, but foregoes the need for optical tweezers, shuttling operations, or long-range interactions. We describe a complete compilation pipeline from the molecular Hamiltonian to the sequence of lattice operations, thus providing a concrete link between quantum simulation and chemistry. Our work enables the application of recent quantum algorithmic techniques, such as double factorization and quantum tailored coupled cluster, to present-day fermionic optical lattice systems with significant improvements in the required number of experimental repetitions. We provide detailed quantum resource estimates for small nontrivial hardware experiments.
Fermionic atoms in optical lattices provide a native implementation of Fermi-Hubbard (FH) models that can be used as analog quantum simulators of many-body fermionic systems. Recent experimental advances include the time-dependent local control of chemical potentials and tunnelings, and thus enable us to operate this platform digitally as a programmable quantum simulator. Here, we explore these opportunities and develop ground-state preparation algorithms for different fermionic models, based on the ability to implement both single-particle and many-body high-fidelity fermionic gates, as provided by the native FH Hamiltonian. In particular, we first design variational precompiled quantum circuits to prepare the ground state of the natively implemented FH model, with significant speedups relative to competing adiabatic protocols. Besides, the versatility of this variational approach enables us to target extended FH models, i.e., including terms that are not natively realized on the platform. As an illustration, we include next-nearest-neighbor tunnelings at finite dopings, relevant in the context of d -wave superconductivity. Furthermore, we discuss how to approximate the imaginary-time evolution using variational fermionic circuits, both as an alternative state-preparation strategy and as a subroutine for the quantum Lanczos algorithm to further improve the energy estimation. We benchmark our protocols for ladder geometries, though they can be readily applied to two-dimensional experimental setups to address regimes beyond the capabilities of current classical methods. These results pave the way for more efficient and comprehensive explorations of relevant many-body phases with existing programmable fermionic quantum simulators.
Ultracold atoms in optical lattices provide a versatile platform for studying many-body physics in a defect-free system with tunable parameters. For the analog quantum simulation of the Fermi-Hubbard model, fermionic atoms take on the role of the valence electrons and optical lattices provide the periodic potential in place of the solid-state crystal. The dynamics in the system are described by the tunneling amplitude t between neighboring lattice sites and the interaction energy U of two particles occupying the same lattice site. With the depth of the optical lattices and an external magnetic field, both parameters can be tuned to access a wide range of regimes. Two superimposed lattices with different lattice periods form an optical superlattice, where the most common configuration is a bichromatic superlattice with lattice periods different by a factor of two. Depending on the lattice depths and the relative phase of the lattices, the bichromatic superlattice potential ranges from an array of weakly-coupled double wells to a continuous lattice potential with a staggered energy offset. We developed a calibration technique for measuring the depth of an optical lattice with local resolution. The band structure of the optical lattice is probed by modulating the lattice depth and exciting the atoms to higher bands. However, compared to resolving the band occupations in a time-of-flight measurement, we further excite the atoms to an untrapped band to deplete the optical lattice along equipotential lines where the modulation frequency is resonant with the local band transitions. From the profile of the lattice depth, we obtain the calibration factor for the power regulation, the waist of the underlying lattice beams and the position of the lattice axis. This technique combines several calibration measurements, thereby reducing the measurement time and enabling an automation of the lattice alignment. For the bichromatic superlattice we realized an active stabilization of the superlattice phase that enables long-term measurements with a precise control over the superlattice phase. The instability of the superlattice phase is a result of the different refractive indices for the two lattices in air and the optical elements along the optical path. Using environmental sensors, we monitor the temperature, the pressure, and the relative humidity to apply the expected correction to the superlattice phase. The stabilized superlattice phase enabled the investigation of Floquet-driven double wells by modulating the energy offset through the superlattice phase. We used a near-resonant driving frequency with respect to the interaction energy to enhance the pair-tunneling amplitude in doubly-occupied double wells compared to static double wells and compared to the tunneling amplitude in singly-occupied double wells.
This thesis presents quantum simulation of strongly-correlated systems beyond standard Hubbard models, using ultracold fermionic potassium atoms in both static and periodically-driven optical superlattices. For this study, we utilize a three-dimensional optical lattice setup, controlling particle interactions via magnetic Feshbach resonances and tunneling between lattice sites through optical lattice intensity. High-resolution absorption imaging combined with radio-frequency spectroscopy distinguishes between singly and doubly occupied sites. To enhance our systems capabilities beyond the standard Hubbard model, we extend the apparatus with an in-plane optical superlattice, creating a bi-chromatic structure by superposition of two optical lattices with commensurate lattice spacings. Using a phase locked loop with an environmental feed forward, we create an excellent phase stability of the superlattice exceeding 3 mrad. This precision allows us to explore both static and periodically-driven one-dimensional tight-binding models with strong interactions. We characterize the static superlattice through radio-frequency spectroscopy and Rabi oscillations, and validate the experimental data against theoretical calculations. In a tilted superlattice configuration, we successfully prepare and detect repulsively bound atom pairs, representing a highly excited eigenstate of the system. Furthermore, we demonstrate control over pair tunneling dynamics in a double-well potential using Floquet engineering, employing a low-noise periodic modulation of the optical superlattice tilt. Using an adiabatic band mapping technique, we directly observe the tunneling dynamics in the driven superlattice. We realize dynamic localization in quarter-filled wells and density-assisted tunneling up to the third harmonic order in half-filled wells. We observe a crossover from density-assited tunneling to dominant pair tunneling by tuning the effective interactions. Remarkably, the pair tunneling is not only enhanced relative to the suppressed single-particle tunneling but also exceeds the superexchange rate of a static double-well by more than a factor of two. This opens the possibility to study many-body systems with dominant pair tunneling, that extend beyond the standard Hubbard model.
Quantum simulations of Hubbard models with ultracold atoms rely on the exceptional control of coherent motion provided by optical lattices. Here we demonstrate enhanced tunability using an optical superlattice in a fermionic quantum gas microscope, evidenced by long-lived coherent double-well oscillations, next-nearest-neighbor quantum walks in a staggered configuration, and correlated quantum walks of two particles initiated through a resonant pair-breaking mechanism. We furthermore demonstrate tunable spin couplings through local offsets and engineer a spin ladder with ferromagnetic and antiferromagnetic couplings along the rungs and legs, respectively. Our Letter underscores the high potential of optical superlattices for engineering, simulating, and detecting strongly correlated many-body quantum states, with direct applications ranging from the study of mixed-dimensional systems to fermionic quantum computing.
Among the most compelling targets for quantum simulation are strongly correlated phases and electronic-structure problems, where interactions organize electrons into collective states and produce intricate low-temperature phase diagrams. Cuprate superconductors are a canonical example: at low doping, superconductivity emerges from a metallic regime that exhibits a pseudogap above the critical temperature. Ultracold atoms in optical lattices provide a well-controlled, tunable setting to probe the microscopic mechanisms behind this behavior and, in fermion-native architectures, to implement electronic structure dynamics directly. This thesis demonstrates both large scale systematic analog quantum simulations in the most interesting regime of doped antiferromagnets and elementary high-fidelity gates as the basis for a digital or hybrid fermionic quantum processors in an optical lattice. Working with ultracold Lithium-6 in a two–dimensional optical superlattice, we first map the parameter space of the Fermi–Hubbard model over a wide range of temperatures and dopings. More than 40000 single-site spin- and density-resolved snapshots, spanning over a dense grid of doping levels and temperatures in a numerically challenging parameter space, reveal antiferromagnetic correlations extending across the system size and into the pseudogap regime. Temperatures down to T/t=0.2 are realized, determined by benchmarking the data to state-of-the-art numerical methods. By evaluating spin–charge correlators up to fifth order, we experimentally uncover a universal scaling behavior across the pseudogap crossover, governed by a single, doping-dependent temperature scale. These findings provide the first microscopic evidence of universal scaling in multi-point correlators and establish stringent benchmarks for future theoretical developments. On the same apparatus, we demonstrate that the controlled motion of fermions in double wells enables high-fidelity entanglement. Double-well potentials are used to engineer coherent pair-tunnelling and spin-exchange interactions that act as native SWAP^α operations. We demonstrate the collisional gate fidelities up to 99.8% and Bell-state lifetimes exceeding ten seconds, limited mainly by residual inhomogeneities in the optical potential. A composite pulse sequence isolates the pair-exchange channel, realizing the elementary building block required for fermionic quantum-chemistry algorithms. With the addition of site-selective addressing, our results mark a key step towards a fully digital, scalable fermionic quantum computer based on the controlled motion and entanglement of fermionic neutral atoms. The work establishes a hybrid analog-digital architecture: analog evolution under the Hubbard Hamiltonian yields thermodynamic states whose magnetic properties match and extend theoretical benchmarks, while digital collisional gates provide building blocks for error-corrected quantum computation and complex state preparation.
Quantum simulators enable the exploration of complex quantum phenomena in condensed-matter systems by reproducing their dynamics on controllable quantum devices. However, experimental constraints often restrict the class of Hamiltonians that can be realized natively. Hamiltonian engineering addresses this limitation by expanding the set of accessible Hamiltonians beyond the fixed system Hamiltonian provided by the hardware. We introduce a framework for fermionic Hamiltonian engineering based on interleaving free evolution under the system Hamiltonian with a sequence of experimentally feasible local fermionic unitaries. The required sequences and free-evolution times are obtained efficiently through a linear program, enabling effective time evolution under a broad class of target Hamiltonians. In particular, our method realizes arbitrary complex tunnelling coefficients, constrained only by the connectivity of the underlying system Hamiltonian. We further show that symmetries of the Hamiltonian engineering task can be exploited to drastically reduce the cost of computing the control parameters, and that errors arising from finite pulse times can be compensated within the same framework through a simple modification of the linear program. To our knowledge, this is the first automated method to realize locally tunable artificial gauge fields in interacting fermionic lattice models using only site-resolved energy shifts as control. We demonstrate the method by engineering the dynamics of interacting Fermi-Hubbard chains with complex tunnelling coefficients and of the Harper-Hofstadter model on a 1088-mode lattice. For the latter, we exploit the translation symmetry of the model to determine a provably optimal six-pulse sequence that produces the desired dynamics independent of the lattice size.