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We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…
Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…
We construct quantum circuits which exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced "qubitization" framework, one can use…
We present a refined semiclassical approach to the Landauer conductance and Kubo conductivity of clean chaotic mesoscopic systems. We demonstrate for systems with uniformly hyperbolic dynamics that including off-diagonal contributions to…
Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…
Recent advances in the field of adiabatic quantum computing and the closely related field of quantum annealers has centered around using more advanced and novel Hamiltonian representations to solve optimization problems. One of these…
In this book chapter, we provide a tutorial introduction to one-way quantum computation and many of the techniques one can use to understand it. The techniques which are described include the stabilizer formalism and the logical Heisenberg…
We present a computational approach which is tailored for reducing the complexity of the description of extended systems at the density functional theory level. We define a recipe for generating a set of localized basis functions which are…
Quantum-inspired algorithms can deliver substantial speedups over classical state-of-the-art methods by executing quantum algorithms with tensor networks on conventional hardware. Unlike circuit models restricted to unitary gates, tensor…
We discuss how to construct tight-binding models for ultra cold atoms in honeycomb potentials, by means of the maximally localized Wannier functions (MLWFs) for composite bands introduced by Marzari and Vanderbilt [1]. In particular, we…
Current and near-term quantum hardware is constrained by limited qubit counts, circuit depth, and the high cost of repeated measurements. We address these challenges for solid state Hamiltonians by introducing a logarithmic-qubit encoding…
An efficient method for computing the Landauer-Buettiker conductance of an open quantum system within DFT+U is presented. The Hubbard potential is included in electronic structure and transport calculations as a simple renormalization of…
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et…
Quantum computing promises to solve previously intractable problems, with neutral atoms emerging as a promising technology. Zoned neutral atom architectures allow for immense parallelism and higher coherence times by shielding idling atoms…
We outline a strategy to compute deeply inelastic scattering structure functions using a hybrid quantum computer. Our approach takes advantage of the representation of the fermion determinant in the QCD path integral as a quantum mechanical…
The ionization potential of molecular chains is well-known to be a tunable nano-scale property that exhibits clear quantum confinement effects. State-of-the-art methods can accurately predict the ionization potential in the small molecule…
Derivation of tight-binding model from Schroedinger formalism for various topologies of position-based semiconductor qubits is presented in this work in case of static and time-dependent electric fields. Simplistic tight-binding model…
We propose a generic protocol to experimentally measure the quantum metric tensor, a fundamental geometric property of quantum states. Our method is based on the observation that the excitation rate of a quantum state directly relates to…
We develop a quasi-classical theory of high harmonic generation in semiconductors based on an interband current that has been transformed from Bloch to Wannier basis. The Wannier quasi-classical approach reveals a complete picture of the…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…