相关论文: Efficient matrix-vector products for large-scale n…
A new method for calculation of shell model intrinsic density matrices, defined as two-particle density matrices integrated over the centre-of-mass position vector of two last particles and complemented with isospin variables, has been…
Recent work shows that inference for Gaussian processes can be performed efficiently using iterative methods that rely only on matrix-vector multiplications (MVMs). Structured Kernel Interpolation (SKI) exploits these techniques by deriving…
A program RCFP will be presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. The list of quantities wich are supported by the present program includes the…
This paper presents a product to sum approach for a fast and efficient matrix filling in a hierarchical finite-element method (FEM). Due to the existence of a coupling factor arising from the material and Jacobian inhomogeneities in curved…
We use the well-known observation that the solutions of Jacobi's differential equation can be represented via non-oscillatory phase and amplitude functions to develop a fast algorithm for computing multi-dimensional Jacobi polynomial…
While general quantum many-body systems require exponential resources to be simulated on a classical computer, systems of non-interacting fermions can be simulated exactly using polynomially scaling resources. Such systems may be of…
A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…
The shell model Monte Carlo (SMMC) method enables calculations in model spaces that are many orders of magnitude larger than those that can be treated by conventional methods, and is particularly suitable for the calculation of level…
Improved staggered fermion formulations are a popular choice for lattice QCD calculations. Historically, the algorithm used for such calculations has been the inexact R algorithm, which has systematic errors that only vanish as the square…
A new code for nuclear shell-model calculations, "KSHELL", is developed. It aims at carrying out both massively parallel computation and single-node computation in the same manner. We solve the Schr\"{o}dinger's equation in the $M$-scheme…
The computational cost required to calculate nuclear correlation functions grows factorially in the number of quarks, making the study of large nuclei inaccessible to ab initio study using lattice QCD at the present time. However, the…
The particle-hole Density Matrix Renormalization Group (p-h DMRG) method is discussed as a possible new approach to large-scale nuclear shell-model calculations. Following a general description of the method, we apply it to a class of…
Coupled nonlinear system of reaction-diffusion equations describing multi-component (species) interactions with heterogeneous coefficients is considered. Finite volume method based approximation for the space is used to construct…
The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exact CI calculation exceeding one quadrillion ($10^{15}$)…
In this paper, we propose and study a fast multilevel dimension iteration (MDI) algorithm for computing arbitrary $d$-dimensional integrals based on tensor product approximations. It reduces the computational complexity (in terms of the CPU…
We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…
This paper introduces and analyzes a preconditioned modified of the Hermitian and skew-Hermitian splitting (PMHSS). The large sparse continuous Sylvester equations are solved by PMHSS iterative algorithm based on nonHermitian, complex,…
We demonstrate the feasibility of realistic Shell-Model Monte Carlo (SMMC) calculations spanning multiple major shells, using a realistic interaction whose bad saturation and shell properties have been corrected by a newly developed general…
Transient simulation of linear and nonlinear circuits remains an important task in modern EDA tools. At present, SPICE-like simulators face challenges in parallelization, nonlinear convergence and linear efficiency, especially when applied…
A generalization of matrix product states (MPS) is introduced which is suitable for describing interacting quantum systems in two and three dimensions. These scale-renormalized matrix-product states (SR-MPS) are based on a course-graining…