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Computing intrinsic distances on discrete surfaces is at the heart of many minimization problems in geometry processing and beyond. Solving these problems is extremely challenging as it demands the computation of on-surface distances along…
We present a method to compute the magnetic moment of a bulk, finite-size, three-dimensional, anisotropic superconductor. Our numerically implemented perturbative procedure is based on a solution of the nonlinear Maxwell- London equations,…
This paper deals with the solution of Maxwell's equations to model the electromagnetic fields in the case of a layered earth. The integrals involved in the solution are approximated by means of a novel approach based on the splitting of the…
Factorization of matrices where the rank of the two factors diverges linearly with their sizes has many applications in diverse areas such as unsupervised representation learning, dictionary learning or sparse coding. We consider a setting…
The bottleneck of micromagnetic simulations is the computation of the long-ranged magnetostatic fields. This can be tackled on regular N-node grids with Fast Fourier Transforms in time N logN, whereas the geometrically more versatile finite…
Unfitted (also known as embedded or immersed) finite element approximations of partial differential equations are very attractive because they have much lower geometrical requirements than standard body-fitted formulations. These schemes do…
An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact…
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…
We review a method that we recently introduced to calculate the finite-temperature distribution of the axial quadrupole operator in the laboratory frame using the auxiliary-field Monte Carlo technique in the framework of the…
The numerical simulation of the 3D incompressible Euler equation is analyzed with respect to different integration methods. The numerical schemes we considered include spectral methods with different strategies for dealiasing and two…
Understanding the effects of noise on quantum computations is fundamental to the development of quantum hardware and quantum algorithms. Simulation tools are essential for quantitatively modelling these effects, yet unless artificial…
A quantum Monte Carlo method combining update of the loop algorithm with the global flip of the world line is proposed as an efficient method to study the magnetization process in an external field, which has been difficult because of…
Numerical evaluations of Feynman integrals often proceed via a deformation of the integration contour into the complex plane. While valid contours are easy to construct, the numerical precision for a multi-loop integral can depend…
For a given Markov chain Monte Carlo (MCMC) algorithm, we define the distance between configurations that quantifies the difficulty of transitions. This distance enables us to investigate MCMC algorithms in a geometrical way, and we…
Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…
We introduce a quantum error mitigation technique based on probabilistic error cancellation to eliminate errors which have accumulated during the application of a quantum circuit. Our approach is based on applying an optimal "denoiser"…
Finding ground states and low-lying excitations of a given Hamiltonian is one of the most important problems in many fields of physics. As a novel approach, quantum computing on Noisy Intermediate-Scale Quantum (NISQ) devices offers the…
We extend the recently-developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric response of periodic insulators. Working in the independent-particle framework, we find…
Efficient quantum circuit optimization schemes are central to quantum simulation of strongly interacting quantum many body systems. Here, we present an optimization algorithm which combines machine learning techniques and tensor network…
In this article we develop a numerical scheme to deal with interfaces between touching numerical grids when solving Schr\"o{}dinger equation. In order to pass the information among grids we use the values of the fields only at the contact…