Related papers: MIKA: a multigrid-based program package for electr…
In this work we construct multigrid preconditioners to accelerate the solution process of a linear-quadratic optimal control problem constrained by the Stokes system. The first order optimality conditions of the control problem form a…
Unfitted finite element methods have emerged as a popular alternative to classical finite element methods for the solution of partial differential equations and allow modeling arbitrary geometries without the need for a boundary-conforming…
A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…
Quantum nanostructures offer crucial applications in electronics, photonics, materials, drugs, etc. For accurate design and analysis of nanostructures and materials, simulations of the Schrodinger or Schrodinger-like equation are always…
Self-consistent approaches to superfluid many-fermion systems in 3-dimensions (and subsequent time-dependent approaches) require a large number of diagonalizations of very large dimension hermitian matrices, which results in enormous…
A matrix inverse free method to solve time-dependent Schrodinger equation is presented. The method is not subject to form of Hamiltonian and adopting real space grid system such as structured and unstructured grid, and achieves the order N…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
We propose a path cover adaptive algebraic multigrid (PC-$\alpha$AMG) method for solving linear systems of weighted graph Laplacians and can also be applied to discretized second order elliptic partial differential equations. The…
Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
A cascadic multigrid method is proposed for eigenvalue problems based on the multilevel correction scheme. With this new scheme, an eigenvalue problem on the finest space can be solved by smoothing steps on a series of multilevel finite…
This paper proposes a cyber-physical architecture for the secured social operation of isolated hybrid microgrids (HMGs). On the physical side of the proposed architecture, an optimal scheduling scheme considering various renewable energy…
We study efficient simulation of steady state for rarefied gas flow, which is modeled by the Boltzmann equation with BGK-type collision term. A nonlinear multigrid solver is proposed to resolve the efficiency issue by the following…
To improve the computational efficiencies of the real-space orbital-free density functional theory, this work develops a new single-grid solver by directly providing the closed-form solution to the inner iteration and using an improved…
We propose an efficient reconstruction algorithm named the frozen Gaussian grid-point correction (FGGC) for computing the Schr\"odinger equation in the semi-classical regime using the frozen Gaussian approximation (FGA). The FGA has…
Numerical simulations of quantum chromodynamics (QCD) on a lattice require the frequent solution of linear systems of equations with large, sparse and typically ill-conditioned matrices. Algebraic multigrid methods are meanwhile the…
The multigrid algorithm is an efficient numerical method for solving a variety of elliptic partial differential equations (PDEs). The method damps errors at progressively finer grid scales, resulting in faster convergence compared to…
Certain applications that analyze damping effects require the solution of quadratic eigenvalue problems (QEPs). We use refined isogeometric analysis (rIGA) to solve quadratic eigenproblems. rIGA discretization, while conserving desirable…