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Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-dependent in accuracy, while wavefunction-based theories are…
We analyze the problem of quantifying entanglement in pure and mixed states of fermionic systems with fixed number parity yet not necessarily fixed particle number. The "mode entanglement" between one single-particle level and its…
NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take…
We introduce a method for the search of parent Hamiltonians of input wave-functions based on the structure of their reduced density matrix. The two key elements of our recipe are an ansatz on the relation between reduced density matrix and…
The utility of solving the Fermi-Hubbard model has been estimated in the billions of dollars. Digital quantum computers can in principle address this task, but have so far been limited to quasi one-dimensional models. This is because of…
Local Hamiltonians of fermionic systems on a lattice can be mapped onto local qubit Hamiltonians. Maintaining the locality of the operators comes at the expense of increasing the Hilbert space with auxiliary degrees of freedom. In order to…
We consider an open quantum system of N not directly interacting spins (qubits) in contact with both local and collective thermal environments. The qubit-environment interactions are energy conserving. We trace out the variables of 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…
We propose an efficient quantum state tomography method inspired by compressed sensing and threshold quantum state tomography that can drastically reduce the number of measurement settings to reconstruct the density matrix of an $N$-qudit…
We propose a procedure for the robust preparation of maximally entangled states of identical fermionic qubits, studying the role played by particle statistics in the process. The protocol exploits externally activated noisy channels to…
We study the problem of environmentally-induced decoherence in a near-critical one-dimensional system of N>>1 coupled qubits. Using the Jordan-Wigner fermion representation of the qubit operators we identify the decoherence rates relevant…
A binary mapping from Fock space of bosonic state to qubits is given. Based on the binary mapping, we construte an algorithm of qubitization of bosons with complexity O(log(N)). As an example, the algorithm of qubitization of bosons in…
We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…
Quantum many-body systems out of equilibrium pose some of the most intriguing questions in physics. Unfortunately, numerically keeping track of time evolution of states under Hamiltonian dynamics constitutes a severe challenge for all known…
We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We investigate the performance and accuracy of digital quantum algorithms for the study of static and dynamic properties of the fermionic Hubbard model at half-filling with next-nearest neighbour hopping terms. We provide quantum circuits…
The structure and dynamics of quantum many-body systems are the result of a delicate interplay between underlying interactions, which leads to intricate entanglement structures. Despite this apparent complexity, symmetries emerge and have…
Many applications of quantum simulation require to prepare and then characterize quantum states by performing an efficient partial tomography to estimate observables corresponding to $k$-body reduced density matrices ($k$-RDMs). For…
In order to simulate a system of fermions on a quantum computer, it is necessary to represent the fermionic states and operators on qubits. This can be accomplished in multiple ways, including the well-known Jordan-Wigner transform, as well…