We introduce a framework for realizing universal fermionic quantum processing with globally controlled itinerant fermionic particles. Our approach is tailored to the example of neutral atoms in optical lattices, but transposes to other setups with similar capabilities. We give constructive protocols to realize arbitrary fermionic processes, with time-dependent control over global parameters of the experimental setup, such as tunneling and interaction in a Fermi-Hubbard type model. We first prove the universality of our framework and then discuss implementation variants, such as hybrid analog-digital simulation of extended Fermi-Hubbard models, e.g., with long-range couplings.

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented on a programmable quantum platform, and its phase diagram and properties are explored. Here we present a quantum algorithmic framework for inverse quantum simulation, enabling quantum material design with desired properties. Target material characteristics are encoded as a cost function, which is minimized on quantum hardware to prepare a many-body state with the desired properties in quantum memory. Hamiltonian learning is then used to reconstruct a low-energy Hamiltonian for which this state is an approximate ground state, yielding a physically interpretable model that can guide experimental synthesis. As illustrative applications, we outline how the method can be used to search for high-temperature superconductors within the fermionic Hubbard model, enhancing -wave correlations over a broad range of dopings and temperatures, design quantum phases by stabilizing a topological order through continuous Hamiltonian modifications, and optimize dynamical properties relevant for photochemistry and frequency- and momentum-resolved condensed-matter data. These results extend the scope of quantum simulators from exploring quantum many-body systems to designing and discovering new quantum materials.

We introduce a method for engineering discrete local dynamics in globally-driven dual-species neutral atom experiments, allowing us to study emergent digital models through uniform analog controls. Leveraging the new opportunities offered by dual-species systems, such as species-alternated driving, our construction exploits simple Floquet protocols on static atom arrangements, and benefits of generalized blockade regimes (different inter- and intra-species interactions). We focus on discrete dynamical models that are special examples of Quantum Cellular Automata (QCA), and explicitly consider a number of relevant examples, including the kicked-Ising model, the Floquet Kitaev honeycomb model, and the digitization of generic translation-invariant nearest-neighbor Hamiltonians (e.g., for Trotterized evolution). As an application, we study chaotic features of discretized many-body dynamics that can be detected by leveraging only demonstrated capabilities of globally-driven experiments, and benchmark their ability to discriminate chaotic evolution.