Related papers: Efficiency of free energy calculations of spin lat…
A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…
We consider the problem of approximating the free energy density of a translation-invariant, one-dimensional quantum spin system with finite range. While the complexity of this problem is nontrivial due to its close connection to problems…
We describe methods to construct digital quantum simulation algorithms for quantum spin systems on a regular lattice with local interactions. In addition to tools such as the Trotter-Suzuki expansion and graph coloring, we also discuss the…
This article investigates the identification of magnetic spin distributions in ferromagnetic materials by minimizing the system's free energy. Magnetic lattices of varying sizes are constructed, and the free energy is computed using an…
We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…
The relationship between the spectral density and free energy of a spin system is considered. The analytical expressions allowing for the calculation of the spectral density for solvable models are determined. A linear Ising model is taken…
The proposed method of the free energy calculation is based on the approximation of the energy distribution in the microcanonical ensemble by the Gaussian distribution. We hope that our approach will be effective for the systems with…
We present an efficient algorithm for calculating spectral properties of large sparse Hamiltonian matrices such as densities of states and spectral functions. The combination of Chebyshev recursion and maximum entropy achieves high energy…
Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…
In many applications data are measured or defined on a spherical manifold; spherical harmonic transforms are then required to access the frequency content of the data. We derive algorithms to perform forward and inverse spin spherical…
In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…
This work addresses the question of whether it is possible to define simple pair-wise interaction terms to approximate free energies of proteins or polymers. Rather than ask how reliable a potential of mean force is, one can ask how…
Efficiently estimating energy expectation values of quantum lattice systems on quantum computers is a crucial subroutine for various quantum algorithms, which can lead to significant overhead due to the high measurement shot numbers…
We present a lattice Boltzmann algorithm based on an underlying free energy that allows the simulation of the dynamics of a multicomponent system with an arbitrary number of components. The thermodynamic properties, such as the chemical…
A fundamental challenge in quantum physics is determining the ground-state properties of many-body systems. Whereas standard approaches, such as variational calculations, consist of writing down a wave function ansatz and minimizing over…
We consider a simple model to describe the widths of the mode locked intervals for the critical circle map. Using two different partitions of the rational numbers, based on Farey series and Farey tree levels respectively, we calculate the…
An algorithm for calculating the spectral intensity of radiation due to the coherent addition of many particles with arbitrary trajectories is described. Direct numerical integration of the Lienard-Wiechert potentials, in the far-field, for…
The energy shift due to the interaction of two particles in a large box is proportional to the free particle scattering phase-shift. This provides an approximation to the effective interaction referred to as the phase-shift approximation.…
We consider performing phase estimation under the following conditions: we are given only one copy of the input state, the input state does not have to be an eigenstate of the unitary, and the state must not be measured. Most quantum…
Many efforts have succeeded over the last decade at lengthening the timescale in which spin qubits loss quantum information under free evolution. With these design principles at a mature stage, it is now timely to widen the scope and take…