相关论文: Exact special twist method for quantum Monte Carlo…
We develop the method of Maximum Entropy (ME) as a technique to generate approximations to probability distributions. The central results consist in (a) justifying the use of relative entropy as the uniquely natural criterion to select a…
The stochastic series expansion (SSE) algorithm is one of the most powerful quantum Monte Carlo methods and has been extensively applied to the study of quantum many body systems. Its efficiency is particularly enhanced with a deterministic…
In this work, we present a novel family of explicit relaxation Particle-in-Cell (ER-PIC) methods for the Vlasov-Poisson equation with a strong magnetic field. These schemes achieve exact energy conservation by combining a splitting…
Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…
This paper aims to study the convergence of adaptive finite element method for control constrained elliptic optimal control problems under $L^2$-norm. We prove the contraction property and quasi-optimal complexity for the $L^2$-norm errors…
An alternative to the fully implicit or monolithic methods used for the solution of the coupling of fluid flow and deformation in porous media is a sequential approach in which the fully coupled system is broken into subproblems (flow and…
In this paper, we study the deep Ritz method for solving the linear elasticity equation from a numerical analysis perspective. A modified Ritz formulation using the $H^{1/2}(\Gamma_D)$ norm is introduced and analyzed for linear elasticity…
We describe a simple quantum mechanical method that can be used to obtain accurate numerical results over long time scales for the spin correlation tensor of an electron spin that is hyperfine coupled to a large number of nuclear spins.…
The solution of time-dependent hyperbolic conservation laws on cut cell meshes causes the small cell problem: standard schemes are not stable on the arbitrarily small cut cells if an explicit time stepping scheme is used and the time step…
We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…
This paper derives an a posteriori error estimator for the nonlinear first-order optimality conditions associated with the electrically and flexoelectrically coupled Frank-Oseen model of liquid crystals, building on previous results for…
Finite temperature problems in the strong correlated systems are important but challenging tasks. Minimally entangled typical thermal states (METTS) are a powerful method in the framework of tensor network methods to simulate finite…
To minimise systematic errors in Monte Carlo simulations of charged particles, long range electrostatic interactions have to be calculated accurately and efficiently. Standard approaches, such as Ewald summation or the naive application of…
Variational inequalities have recently attracted considerable interest in machine learning as a flexible paradigm for models that go beyond ordinary loss function minimization (such as generative adversarial networks and related deep…
Fast and robust quantum control protocols are often based on an idealised approximate description of the relevant quantum system. While this may provide a performance which is close to optimal, improvements can be made by incorporating…
In this paper we compute higher particle form factors of branch point twist fields. These fields were first described in the context of massive 1+1-dimensional integrable quantum field theories and their correlation functions are related to…
This paper introduces a new approach for the computation of electromagnetic field derivatives, up to any order, with respect to the material and geometric parameters of a given geometry, in a single Finite-Difference Time-Domain (FDTD)…
In this work we develop and analyze an adaptive finite element method for efficiently solving electrical impedance tomography -- a severely ill-posed nonlinear inverse problem for recovering the conductivity from boundary voltage…
This paper proposes an explicit computational method for solving a three-dimensional system of nonlinear elastodynamic sine-Gordon equations subject to appropriate initial and boundary conditions. The time derivative is approximated by…
We present a simple, general purpose, quantum Monte-Carlo algorithm for out-of-equilibrium interacting nanoelectronics systems. It allows one to systematically compute the expansion of any physical observable (such as current or density) in…