Related papers: Compact Molecular Simulation on Quantum Computers …
Quantum computers are expected to accelerate solving combinatorial optimization problems, including algorithms such as Grover adaptive search and quantum approximate optimization algorithm (QAOA). However, many combinatorial optimization…
Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…
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…
Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…
By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…
Fermions are the building blocks of matter, forming atoms and nuclei, complex materials and neutron stars. Our understanding of many-fermion systems is however limited, as classical computers are often insufficient to handle the intricate…
Simulating quantum physics with a device which itself is quantum mechanical, a notion Richard Feynman originated, would be an unparallelled computational resource. However, the universal quantum simulation of fermionic systems is daunting…
The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…
Current quantum simulators are primarily qubit-based, making them naturally suitable for simulating 2-level quantum systems. However, many systems in nature are inherently $d$-level, including higher spins, bosons, vibrational modes, and…
Quantum computers potentially have an exponential advantage over classical computers for the quantum simulation of many-fermion quantum systems. Nonetheless, fermions are more expensive to simulate than bosons due to the fermionic encoding…
Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function. Recent calculations suggest that fermionic encoding of the wave function can be bypassed,…
Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…
We study variational quantum algorithms from the perspective of free fermions. By deriving the explicit structure of the associated Lie algebras, we show that the Quantum Approximate Optimization Algorithm (QAOA) on a one-dimensional…
Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in…
Neural-network quantum states have been successfully used to study a variety of lattice and continuous-space problems. Despite a great deal of general methodological developments, representing fermionic matter is however still early…
We show that higher-dimensional versions of qubits, or qudits, can be encoded into spin systems and into harmonic oscillators, yielding important advantages for quantum computation. Whereas qubit-based quantum computation is adequate for…
Here we explore which heuristic quantum algorithms for combinatorial optimization might be most practical to try out on a small fault-tolerant quantum computer. We compile circuits for several variants of quantum accelerated simulated…