Related papers: Low-Scaling algorithms for $GW$ and constrained ra…
Modern image formation algorithms in radio interferometry rely on repeated applications of the operator {\Phi} modelling the measurement process and its adjoint {Phi^\dagger} to enforce consistency with the acquired data, specifically via…
We present an efficient preconditioning technique for accelerating the fixed point iteration in real-space Kohn-Sham density functional theory (DFT) calculations. The preconditioner uses a low rank approximation of the dielectric matrix…
This work considers the problem of computing the canonical polyadic decomposition (CPD) of large tensors. Prior works mostly leverage data sparsity to handle this problem, which is not suitable for handling dense tensors that often arise in…
This study examines how the GW approximation, one of the techniques covered by Green's functions and on many-body approximations (GFMBA), fares compared to the treatment of the Hubbard model solved using an exact diagonalization (ED)…
This paper investigates the application of a fast-wave slow-wave spectral deferred correction time-stepping method (FWSW-SDC) to the compressible Euler equations. The resulting model achieves arbitrary order accuracy in time, demonstrating…
Imaginary-time time-dependent Density functional theory (it-TDDFT) has been proposed as an alternative method for obtaining the ground state within density functional theory (DFT) which avoids some of the difficulties with convergence…
The generalized density matrix (GDM) method is used to calculate microscopically the parameters of the collective Hamiltonian. Higher order anharmonicities are obtained consistently with the lowest order results, the mean field…
The recently developed iterated stockholder atoms (ISA) approach of Lillestolen and Wheatley (Chem. Commun. {\bf 2008}, 5909 (2008)) offers a powerful method for defining atoms in a molecule. However, the real-space algorithm is known to…
In this paper we discuss an application of Stochastic Approximation to statistical estimation of high-dimensional sparse parameters. The proposed solution reduces to resolving a penalized stochastic optimization problem on each stage of a…
Particle filtering (PF) is an often used method to estimate the states of dynamical systems. A major limitation of the standard PF method is that the dimensionality of the state space increases as the time proceeds and eventually may cause…
The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…
We present an efficient algorithm for the least squares parameter fitting optimized for component separation in multi-frequency CMB experiments. We sidestep some of the problems associated with non-linear optimization by taking advantage of…
In this paper we propose a new efficient interpolation tool, extremely suitable for large scattered data sets. The partition of unity method is used and performed by blending Radial Basis Functions (RBFs) as local approximants and using…
In the present work, we start from a minimal Hamiltonian for Fermi systems where the s-wave scattering is the only low energy constant at play. Many-Body Perturbative approach that is usually valid at rather low density is first discussed.…
The thermal radiative transfer equations model temperature evolution through a background medium as a result of radiation. When a large number of particles are absorbed in a short time scale, the dynamics tend to a non-linear diffusion-type…
Semi-implicit semi-Lagrangian (SISL) methods are commonly used for the shallow water equations (SWE) because they allow for larger time steps than those permitted by the Courant-Friedrichs-Lewy (CFL) stability condition in Eulerian schemes.…
Wave packet propagation in the basis of interpolating scaling functions (ISF) is studied. The ISF are well known in the multiresolution analysis based on spline biorthogonal wavelets. The ISF form a cardinal basis set corresponding to an…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
The Distributed Adaptive Signal Fusion (DASF) framework is a meta-algorithm for computing data-driven spatial filters in a distributed sensing platform with limited bandwidth and computational resources, such as a wireless sensor network.…
We present an algorithm and its parallel implementation for solving a self consistent problem as encountered in Hartree Fock or Density Functional Theory. The algorithm takes advantage of the sparsity of matrices through the use of local…