Related papers: Electronic Structure Calculations and the Ising Ha…
We introduce a framework for the calculation of ground and excited state energies of bosonic systems suitable for near-term quantum devices and apply it to molecular vibrational anharmonic Hamiltonians. Our method supports generic reference…
We present a procedure to solve the Schroedinger equation of two interacting electrons in a quantum dot in the presence of an external magnetic field within the context of quasi-exactly-solvable spectral problems. We show that the…
Ising machines are purported to be better at solving large-scale combinatorial optimisation problems better than conventional von Neumann computers. However, these Ising machines are widely believed to be heuristics, whose promise is…
In recent years, quantum Ising machines have drawn a lot of attention, but due to physical implementation constraints, it has been difficult to achieve dense coupling, such as full coupling with sufficient spins to handle practical…
Computation with the Ising model is central to future computing technologies like quantum annealing, adiabatic quantum computing, and thermodynamic classical computing. Traditionally, computed values have been equated with ground states.…
Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…
Current quantum devices execute specific tasks that are hard for classical computers and have the potential to solve problems such as quantum simulation of material science and chemistry, even without error correction. For practical…
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…
Quantum simulation using synthetic systems is a promising route to solve outstanding quantum many-body problems in regimes where other approaches, including numerical ones, fail. Many platforms are being developed towards this goal, in…
We consider different Linear Combination of Unitaries (LCU) decompositions for molecular electronic structure Hamiltonians. Using these LCU decompositions for Hamiltonian simulation on a quantum computer, the main figure of merit is the…
The numerical solution of the many-body problem of interacting electrons and ions is a key challenge in condensed matter physics, chemistry, and materials science. Traditional methods to solve the multi-component quantum Hamiltonian are…
Classical simulations of quantum computations are vital for the future development of this emerging technology. To this end, decision diagrams have been proposed as a complementary technique which frequently allows to tackle the inherent…
We compare convergence of isogeometric analysis (IGA), a spline modification of finite element method (FEM), with FEM in the context of our real space code for ab-initio electronic structure calculations of non-periodic systems. The…
Quantum simulators and processors are rapidly improving nowadays, but they are still not able to solve complex and multidimensional tasks of practical value. However, certain numerical algorithms inspired by the physics of real quantum…
The state of art of electromagnetic integral equations has seen significant growth over the past few decades, overcoming some of the fundamental bottlenecks: computational complexity, low frequency and dense discretization breakdown,…
We exploit a recently constructed mapping between quantum circuits and graphs in order to prove that circuits corresponding to certain planar graphs can be efficiently simulated classically. The proof uses an expression for the Ising model…
Parallelism of tight-binding molecular dynamics simulations is presented by means of the order-N electronic structure theory with the Wannier states, recently developed (J. Phys. Soc. Jpn. 69,3773 (2000)). An application is tested for…
The reduced-density-matrix method is an promising candidate for the next generation electronic structure calculation method; it is equivalent to solve the Schr\"odinger equation for the ground state. The number of variables is the same as a…
Determining the vibrational structure of a molecule is central to fundamental applications in several areas, from atmospheric science to catalysis, fuel combustion modeling, biochemical imaging, and astrochemistry. However, when significant…
Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…