Related papers: Tailoring Term Truncations for Electronic Structur…
Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…
The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of fermionic Gaussian circuits and Ising…
The vast use of computers on scientific numerical computation makes the awareness of the limited precision that these machines are able to provide us an essential matter. A limited and insufficient precision allied to the truncation and…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
Experiments in coherent nuclear and electron magnetic resonance,and quantum computing in general correspond to control of quantum mechanical systems, guiding them from initial to final target states by unitary transformations. The control…
Simulating the dynamics of many-body quantum systems is believed to be one of the first fields that quantum computers can show a quantum advantage over classical computers. Noisy intermediate-scale quantum (NISQ) algorithms aim at…
Total least squares (TLS) methods have been widely used in data fitting. Compared with the least squares method, for TLS problem we takes into account not only the observation errors, but also the errors in the measurement matrix. This is…
Gauge theories establish the standard model of particle physics, and lattice gauge theory (LGT) calculations employing Markov Chain Monte Carlo (MCMC) methods have been pivotal in our understanding of fundamental interactions. The present…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
The factorized form of the unitary coupled cluster ansatz is a popular state preparation ansatz for electronic structure calculations of molecules on quantum computers. It often is viewed as an approximation (based on the Trotter product…
Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…
Measurements on near-term quantum processors are inevitably subject to hardware imperfections that lead to readout errors. Mitigation of such unavoidable errors is crucial to better explore and extend the power of near-term quantum…
We present a balanced truncation model reduction approach for a class of nonlinear systems with time-varying and uncertain inputs. First, our approach brings the nonlinear system into quadratic-bilinear~(QB) form via a process called…
In this paper, we present a theoretical analysis of the model reduction algorithm for linear switched systems. This algorithm is a reminiscence of the balanced truncation method for linear parameter varying systems. Specifically in this…
Effective field theories (EFTs) organize the description of complex systems into an infinite sequence of decreasing importance. Predictions are made with a finite number of terms, which induces a truncation error that is often left…
Product formulas can be used to simulate Hamiltonian dynamics on a quantum computer by approximating the exponential of a sum of operators by a product of exponentials of the individual summands. This approach is both straightforward and…
Quantum algorithms typically demand prohibitively complicated circuits to solve practical problems. Previous studies have shown that classical randomness can accelerate some specific quantum algorithms. In this work, we introduce the…
Electronic structure calculations of molecular systems are among the most promising applications for fault-tolerant quantum computing (FTQC) in quantum chemistry and drug design. However, while recent algorithmic advancements such as…
Simulating quantum systems is one of the most promising avenues to harness the computational power of quantum computers. However, hardware errors in noisy near-term devices remain a major obstacle for applications. Ideas based on the…
An approximate relativistic two-component Hamiltonian for use in molecular electronic structure calculations is derived in the form of a sum of fixed atom-centered kinetic and spin-orbit operators added to the non-relativistic Hamiltonian.…