Related papers: Tailoring Term Truncations for Electronic Structur…
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 consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…
Ewald summation is widely used to calculate electrostatic interactions in computer simulations of condensed-matter systems. We present an analysis of the errors arising from truncating the infinite real- and Fourier-space lattice sums in…
Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…
For many quantum systems of interest, the classical computational cost of simulating their time evolution scales exponentially in the system size. At the same time, quantum computers have been shown to allow for simulations of some of these…
Based on recently introduced efficient quantum state tomography schemes, we propose a scalable method for the tomography of unitary processes and the reconstruction of one-dimensional local Hamiltonians. As opposed to the exponential…
We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…
Randomization has been applied to Hamiltonian simulation in a number of ways to improve the accuracy or efficiency of product formulas. Deterministic product formulas are often constructed in a symmetric way to provide accuracy of even…
The Linear Combination of Unitaries (LCU) method is a powerful scheme for the block encoding of operators but suffers from high overheads. In this work, we discuss the parallelisation of LCU and in particular the SELECT subroutine of LCU…
We present an efficient algorithm for twirling a multi-qudit quantum state. The algorithm can be used for approximating the twirling operation in an ensemble of physical systems in which the systems cannot be individually accessed. It can…
Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…
The theory of nonlinear balanced truncation provides a system-theoretic framework for model reduction that preserves important properties such as stability, controllability, and observability. We present a scalable algorithm for computing…
Stochastic methods offer an effective way to suppress coherent errors in quantum simulation. In particular, the randomized compilation protocol may reduce circuit depth by randomly sampling Hamiltonian terms rather than following 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…
Compilation optimizes quantum algorithms performances on real-world quantum computers. To date, it is performed via classical optimization strategies. We introduce a class of quantum algorithms to perform compilation via quantum computers,…
Hamiltonian truncation is a non-perturbative numerical method for calculating observables of a quantum field theory. The starting point for this method is to truncate the interacting Hamiltonian to a finite-dimensional space of states…
Quantum computing promises transformative impacts in simulating Hamiltonian dynamics, essential for studying physical systems inaccessible by classical computing. However, existing compilation techniques for Hamiltonian simulation, in…
Application of current and near-term quantum hardware to the electronic structure problem is highly limited by qubit counts, coherence times, and gate fidelities. To address these restrictions within the variational quantum eigensolver…
Quantum simulation of the electronic structure problem is one of the most researched applications of quantum computing. The majority of quantum algorithms for this problem encode the wavefunction using $N$ Gaussian orbitals, leading to…
As electronic structure simulations continue to grow in size, the system-size scaling of computational costs increases in importance relative to cost prefactors. Presently, linear-scaling costs for three-dimensional systems are only…