ChASE: Chebyshev Accelerated Subspace iteration Eigensolver for sequences of Hermitian eigenvalue problems

Solving dense Hermitian eigenproblems arranged in a sequence with direct solvers fails to take advantage of those spectral properties which are pertinent to the entire sequence, and not just to the single problem. When such features take the form of correlations between the eigenvectors of consecutive problems, as is the case in many real-world applications, the potential benefit of exploiting them can be substantial. We present ChASE, a modern algorithm and library based on subspace iteration with polynomial acceleration. Novel to ChASE is the computation of the spectral estimates that enter in the filter and an optimization of the polynomial degree which further reduces the necessary FLOPs. ChASE is written in C++ using the modern software engineering concepts which favor a simple integration in application codes and a straightforward portability over heterogeneous platforms. When solving sequences of Hermitian eigenproblems for a portion of their extremal spectrum, ChASE greatly benefits from the sequence's spectral properties and outperforms direct solvers in many scenarios. The library ships with two distinct parallelization schemes, supports execution over distributed GPUs, and it is easily extensible to other parallel computing architectures.Comment: 33 pages. Submitted to ACM TOM

Digital Filtering and Processing by Transform Techniques, Volume 1 Final Report

Digital filtering and processing by transform technique

Computational Inverse Problems

Inverse problem typically deal with the identification of unknown quantities from indirect measurements and appear in many areas in technology, medicine, biology, finance, and econometrics. The computational solution of such problems is a very active, interdisciplinary field with close connections to optimization, control theory, differential equations, asymptotic analysis, statistics, and probability. The focus of this workshop was on hybrid methods, model reduction, regularization in Banach spaces, and statistical approaches

Approximation, analysis and control of large-scale systems - Theory and Applications

This work presents some contributions to the fields of approximation, analysis and control of large-scale systems. Consequently the Thesis consists of three parts. The first part covers approximation topics and includes several contributions to the area of model reduction. Firstly, model reduction by moment matching for linear and nonlinear time-delay systems, including neutral differential time-delay systems with discrete-delays and distributed delays, is considered. Secondly, a theoretical framework and a collection of techniques to obtain reduced order models by moment matching from input/output data for linear (time-delay) systems and nonlinear (time-delay) systems is presented. The theory developed is then validated with the introduction and use of a low complexity algorithm for the fast estimation of the moments of the NETS-NYPS benchmark interconnected power system. Then, the model reduction problem is solved when the class of input signals generated by a linear exogenous system which does not have an implicit (differential) form is considered. The work regarding the topic of approximation is concluded with a chapter covering the problem of model reduction for linear singular systems. The second part of the Thesis, which concerns the area of analysis, consists of two very different contributions. The first proposes a new "discontinuous phasor transform" which allows to analyze in closed-form the steady-state behavior of discontinuous power electronic devices. The second presents in a unified framework a class of theorems inspired by the Krasovskii-LaSalle invariance principle for the study of "liminf" convergence properties of solutions of dynamical systems. Finally, in the last part of the Thesis the problem of finite-horizon optimal control with input constraints is studied and a methodology to compute approximate solutions of the resulting partial differential equation is proposed.Open Acces

Proceedings of the Fifth NASA/NSF/DOD Workshop on Aerospace Computational Control

The Fifth Annual Workshop on Aerospace Computational Control was one in a series of workshops sponsored by NASA, NSF, and the DOD. The purpose of these workshops is to address computational issues in the analysis, design, and testing of flexible multibody control systems for aerospace applications. The intention in holding these workshops is to bring together users, researchers, and developers of computational tools in aerospace systems (spacecraft, space robotics, aerospace transportation vehicles, etc.) for the purpose of exchanging ideas on the state of the art in computational tools and techniques

X-ray Absorption Near-Edge Structure (XANES) at the O K-Edge of Bulk Co₃O₄: Experimental and Theoretical Studies

We combine theoretical and experimental X-ray absorption near-edge spectroscopy (XANES) to probe the local environment around cationic sites of bulk spinel cobalt tetraoxide (Co3O4). Specifically, we analyse the oxygen K-edge spectrum. We find an excellent agreement between our calculated spectra based on the density functional theory and the projector augmented wave method, previous calculations as well as with the experiment. The oxygen K-edge spectrum shows a strong pre-edge peak which can be ascribed to dipole transitions from O 1s to O 2p states hybridized with the unoccu- pied 3d states of cobalt atoms. Also, since Co3O4 contains two types of Co atoms, i.e., Co3+ and Co2+, we find that contribution of Co2+ ions to the pre-edge peak is solely due to single spin-polarized t2g orbitals (dxz, dyz, and dxy) while that of Co3+ ions is due to spin-up and spin-down polarized eg orbitals (dx2−y2 and dz2 ). Furthermore, we deduce the magnetic moments on the Co3+ and Co2+ to be zero and 3.00 μB respectively. This is consistent with an earlier experimental study which found that the magnetic structure of Co3O4 consists of antiferromagnetically ordered Co2+ spins, each of which is surrounded by four nearest neighbours of oppositely directed spins