Systematic redundant residue number system codes: analytical upper bound and iterative decoding performance over AWGN and Rayleigh channels

The novel family of redundant residue number system (RRNS) codes is studied. RRNS codes constitute maximum–minimum distance block codes, exhibiting identical distance properties to Reed–Solomon codes. Binary to RRNS symbol-mapping methods are proposed, in order to implement both systematic and nonsystematic RRNS codes. Furthermore, the upper-bound performance of systematic RRNS codes is investigated, when maximum-likelihood (ML) soft decoding is invoked. The classic Chase algorithm achieving near-ML soft decoding is introduced for the first time for RRNS codes, in order to decrease the complexity of the ML soft decoding. Furthermore, the modified Chase algorithm is employed to accept soft inputs, as well as to provide soft outputs, assisting in the turbo decoding of RRNS codes by using the soft-input/soft-output Chase algorithm. Index Terms—Redundant residue number system (RRNS), residue number system (RNS), turbo detection

Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method.

Recent advances in selected configuration interaction methods have made them competitive with the most accurate techniques available and, hence, creating an increasingly powerful tool for solving quantum Hamiltonians. In this work, we build on recent advances from the adaptive sampling configuration interaction (ASCI) algorithm. We show that a useful paradigm for generating efficient selected CI/exact diagonalization algorithms is driven by fast sorting algorithms, much in the same way iterative diagonalization is based on the paradigm of matrix vector multiplication. We present several new algorithms for all parts of performing a selected CI, which includes new ASCI search, dynamic bit masking, fast orbital rotations, fast diagonal matrix elements, and residue arrays. The ASCI search algorithm can be used in several different modes, which includes an integral driven search and a coefficient driven search. The algorithms presented here are fast and scalable, and we find that because they are built on fast sorting algorithms they are more efficient than all other approaches we considered. After introducing these techniques, we present ASCI results applied to a large range of systems and basis sets to demonstrate the types of simulations that can be practically treated at the full-CI level with modern methods and hardware, presenting double- and triple-ζ benchmark data for the G1 data set. The largest of these calculations is Si2H6 which is a simulation of 34 electrons in 152 orbitals. We also present some preliminary results for fast deterministic perturbation theory simulations that use hash functions to maintain high efficiency for treating large basis sets

Hierarchical theory of quantum dissipation: Partial fraction decomposition scheme

We propose a partial fraction decomposition scheme to the construction of hierarchical equations of motion theory for bosonic quantum dissipation systems. The expansion of Bose--Einstein function in this scheme shows similar properties as it applies for Fermi function. The performance of the resulting quantum dissipation theory is exemplified with spin--boson systems. In all cases we have tested the new theory performs much better, about an order of magnitude faster, than the best available conventional theory based on Matsubara spectral decomposition scheme.Comment: 8 pages, 3 figures, submitted to Chemical Physics special issue "Dynamics of molecular systems: From quantum to classical

Flat-Bottom Strategy for Improved Accuracy in Protein Side-Chain Placements

We present a new strategy for protein side-chain placement that uses flat-bottom potentials for rotamer scoring. The extent of the flat bottom depends on the coarseness of the rotamer library and is optimized for libraries ranging from diversities of 0.2 Å to 5.0 Å. The parameters reported here were optimized for forcefields using Lennard-Jones 12−6 van der Waals potential with DREIDING parameters but are expected to be similar for AMBER, CHARMM, and other forcefields. This Side-Chain Rotamer Excitation Analysis Method is implemented in the SCREAM software package. Similar scoring function strategies should be useful for ligand docking, virtual ligand screening, and protein folding applications

Scaling of the Critical Function for the Standard Map: Some Numerical Results

The behavior of the critical function for the breakdown of the homotopically non-trivial invariant (KAM) curves for the standard map, as the rotation number tends to a rational number, is investigated using a version of Greene's residue criterion. The results are compared to the analogous ones for the radius of convergence of the Lindstedt series, in which case rigorous theorems have been proved. The conjectured interpolation of the critical function in terms of the Bryuno function is discussed.Comment: 26 pages, 3 figures, 13 table