Correlation effects and orbital magnetism of Co clusters

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with respect to the cluster size and how competing interactions contribute to the quenching of orbital magnetism. We investigate here different theoretical methods to calculate the spin and orbital moments of Co clusters, and assess the performances of the methods in comparison with experiments. It is shown that density functional theory in conventional local density or generalized gradient approximations, or even with a hybrid functional, severely underestimates the orbital moment. As natural extensions/corrections we considered the orbital polarization correction, the LDA+U approximation as well as the LDA+DMFT method. Our theory shows that of the considered methods, only the LDA+DMFT method provides orbital moments in agreement with experiment, thus emphasizing the importance of dynamic correlations effects for determining fundamental magnetic properties of magnets in the nano-size regime

The structure of preserved information in quantum processes

We introduce a general operational characterization of information-preserving structures (IPS) -- encompassing noiseless subsystems, decoherence-free subspaces, pointer bases, and error-correcting codes -- by demonstrating that they are isometric to fixed points of unital quantum processes. Using this, we show that every IPS is a matrix algebra. We further establish a structure theorem for the fixed states and observables of an arbitrary process, which unifies the Schrodinger and Heisenberg pictures, places restrictions on physically allowed kinds of information, and provides an efficient algorithm for finding all noiseless and unitarily noiseless subsystems of the process

Information preserving structures: A general framework for quantum zero-error information

Quantum systems carry information. Quantum theory supports at least two distinct kinds of information (classical and quantum), and a variety of different ways to encode and preserve information in physical systems. A system's ability to carry information is constrained and defined by the noise in its dynamics. This paper introduces an operational framework, using information-preserving structures to classify all the kinds of information that can be perfectly (i.e., with zero error) preserved by quantum dynamics. We prove that every perfectly preserved code has the same structure as a matrix algebra, and that preserved information can always be corrected. We also classify distinct operational criteria for preservation (e.g., "noiseless", "unitarily correctible", etc.) and introduce two new and natural criteria for measurement-stabilized and unconditionally preserved codes. Finally, for several of these operational critera, we present efficient (polynomial in the state-space dimension) algorithms to find all of a channel's information-preserving structures.Comment: 29 pages, 19 examples. Contains complete proofs for all the theorems in arXiv:0705.428

Pharmacists in Pharmacovigilance: Can Increased Diagnostic Opportunity in Community Settings Translate to Better Vigilance?

The pharmacy profession has undergone substantial change over the last two to three decades. Whilst medicine supply still remains a central function, pharmacist’s roles and responsibilities have become more clinic and patient focused. In the community (primary care), pharmacists have become important providers of healthcare as Western healthcare policy advocates patient self-care. This has resulted in pharmacists taking on greater responsibility in managing minor illness and the delivery of public health interventions. These roles require pharmacists to more fully use their clinical skills, and often involve diagnosis and therapeutic management. Community pharmacists are now, more than ever before, in a position to identify, record and report medication safety incidents. However, current research suggests that diagnostic ability of community pharmacists is questionable and they infrequently report to local or national schemes. The aim of this paper is to highlight current practice and suggest ways in which community pharmacy can more fully contribute to patient safety

Global entrainment of transcriptional systems to periodic inputs

This paper addresses the problem of giving conditions for transcriptional systems to be globally entrained to external periodic inputs. By using contraction theory, a powerful tool from dynamical systems theory, it is shown that certain systems driven by external periodic signals have the property that all solutions converge to a fixed limit cycle. General results are proved, and the properties are verified in the specific case of some models of transcriptional systems. The basic mathematical results needed from contraction theory are proved in the paper, making it self-contained

Interpolating orientation fields : an axiomatic approach

International audienc

Inferring Binding Energies from Selected Binding Sites

We employ a biophysical model that accounts for the non-linear relationship between binding energy and the statistics of selected binding sites. The model includes the chemical potential of the transcription factor, non-specific binding affinity of the protein for DNA, as well as sequence-specific parameters that may include non-independent contributions of bases to the interaction. We obtain maximum likelihood estimates for all of the parameters and compare the results to standard probabilistic methods of parameter estimation. On simulated data, where the true energy model is known and samples are generated with a variety of parameter values, we show that our method returns much more accurate estimates of the true parameters and much better predictions of the selected binding site distributions. We also introduce a new high-throughput SELEX (HT-SELEX) procedure to determine the binding specificity of a transcription factor in which the initial randomized library and the selected sites are sequenced with next generation methods that return hundreds of thousands of sites. We show that after a single round of selection our method can estimate binding parameters that give very good fits to the selected site distributions, much better than standard motif identification algorithms

Solitary waves for linearly coupled nonlinear Schrodinger equations with inhomogeneous coefficients

Motivated by the study of matter waves in Bose-Einstein condensates and coupled nonlinear optical systems, we study a system of two coupled nonlinear Schrodinger equations with inhomogeneous parameters, including a linear coupling. For that system we prove the existence of two different kinds of homoclinic solutions to the origin describing solitary waves of physical relevance. We use a Krasnoselskii fixed point theorem together with a suitable compactness criterion.Comment: 16 page