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We propose to use ultracold fermionic atoms in one-dimensional optical lattices to quantum simulate the electronic transport in quantum cascade laser (QCL) structures. The competition between the coherent tunneling among (and within) the…
Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…
Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
We propose a state-averaged orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for use on near-term quantum computers. Instead of parameterizing the orbital rotation operator in…
This paper introduces Fermihedral, a compiler framework focusing on discovering the optimal Fermion-to-qubit encoding for targeted Fermionic Hamiltonians. Fermion-to-qubit encoding is a crucial step in harnessing quantum computing for…
Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, straightforward…
Digital quantum simulation of electron-phonon systems requires truncating infinite phonon levels into $N$ basis states and then encoding them with qubit computational basis. Unary encoding and the more compact binary/Gray encoding are the…
Building on the established methods for superconducting circuit quantization, we present a new theoretical framework for approximate numerical simulation of Josephson quantum circuits. Simulations based on this framework provide access to a…
In the Noisy Intermediate-Scale Quantum (NISQ) era, solving the electronic structure problem from chemistry is considered as the "killer application" for near-term quantum devices. In spite of the success of variational hybrid…
Supersymmetric models are grounded in the intriguing concept of a hypothetical symmetry that relates bosonic and fermionic particles. This symmetry has profound implications, offering valuable extensions to the Standard Model of particle…
Quantum chemistry is a key target for quantum computing, but benchmarking quantum algorithms for large molecular systems remains challenging due to the lack of exactly solvable yet structurally realistic models. In particular, molecular…
Fermionic Linear Optics (FLO) is a restricted model of quantum computation which in its original form is known to be efficiently classically simulable. We show that, when initialized with suitable input states, FLO circuits can be used to…
Designing a qubit architecture is one of the most critical challenges in achieving scalable and fault-tolerant quantum computing as the performance of a quantum computer is heavily dependent on the coherence times, connectivity and low…
We discuss encodings of fermionic many-body systems by qubits in the presence of symmetries. Such encodings eliminate redundant degrees of freedom in a way that preserves a simple structure of the system Hamiltonian enabling quantum…
Quantum machine learning for spin and molecular systems faces critical challenges of scarce labeled data and computationally expensive simulations. To address these limitations, we introduce Hamiltonian-Masked Autoencoding (HMAE), a novel…
Understanding which subclasses of quantum circuits are efficiently classically simulable is fundamental to delineating the boundary between classical and quantum computation. In this context, it is well known that certain tasks based on…
Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…
We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…
There is a remarkable interest in the study of Out-of-time ordered correlators (OTOCs) that goes from many body theory and high energy physics to quantum chaos. In this latter case there is a special focus on the comparison with the…