Iterative algorithm versus analytic solutions of the parametrically driven dissipative quantum harmonic oscillator

We consider the Brownian motion of a quantum mechanical particle in a one-dimensional parabolic potential with periodically modulated curvature under the influence of a thermal heat bath. Analytic expressions for the time-dependent position and momentum variances are compared with results of an iterative algorithm, the so-called quasiadiabatic propagator path integral algorithm (QUAPI). We obtain good agreement over an extended range of parameters for this spatially continuous quantum system. These findings indicate the reliability of the algorithm also in cases for which analytic results may not be available a priori.Comment: 15 pages including 11 figures, one reference added, minor typos correcte

Streamlining Deposit: An OJS to Repository Plugin (Pitch)

Pitch for Stremlining Deposit: An OJS Plugin, presented by Stephann Makri

Discovering the Unfindable: The Tension Between Findability and Discoverability in a Bookshop Designed for Serendipity

Serendipity is a key aspect of user experience, particularly in the context of information acquisition - where it is known as information encountering. Unexpectedly encountering interesting or useful information can spark new insights while surprising and delighting. However, digital environments have been designed primarily for goal-directed seeking over loosely-directed exploration, searching over discovering. In this paper we examine a novel physical environment - a bookshop designed primarily for serendipity - for cues as to how information encountering might be helped or hindered by digital design. Naturalistic observations and interviews revealed it was almost impossible for participants to find specific books or topics other than by accident. But all unexpectedly encoun-tered interesting books, highlighting a tension between findability and discoverability. While some of the bookshop’s design features enabled information en-countering, others inhibited it. However, encountering was resilient, as it occurred despite participants finding it hard to understand the purpose of even those features that did enable it. Findings suggest the need to consider how transparent or opaque the purpose of design features should be and to balance structure and lack of it when designing digital environments for findability and discoverability

Dynamical simulation of transport in one-dimensional quantum wires

Transport of single-channel spinless interacting fermions (Luttinger liquid) through a barrier has been studied by numerically exact quantum Monte Carlo methods. A novel stochastic integration over the real-time paths allows for direct computation of nonequilibrium conductance and noise properties. We have examined the low-temperature scaling of the conductance in the crossover region between a very weak and an almost insulating barrier.Comment: REVTex, 4 pages, 2 uuencoded figures (submitted to Phys. Rev. Lett.

Vibrational energy relaxation in proteins

An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied using two theoretical approaches. One is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach which describes the protein as an ensemble of normal modes interacting through nonlinear coupling elements. Both methods result in estimates of the VER time (sub ps) for a CD stretching mode in the protein at room temperature. The theoretical predictions are in accord with the experimental data of Romesberg's group. A perspective on future directions for the detailed study of time scales and mechanisms for VER in proteins is presented.Comment: 12 pages, 4 figures, accepted for publication in PNA

Disease association and comparative genomics of compositional bias in human proteins [version 2; peer review: 2 approved]

Background: The evolutionary rate of disordered protein regions varies greatly due to the lack of structural constraints. So far, few studies have investigated the presence/absence patterns of compositional bias, indicative of disorder, across phylogenies in conjunction with human disease. In this study, we report a genome-wide analysis of compositional bias association with disease in human proteins and their taxonomic distribution. Methods: The human genome protein set provided by the Ensembl database was annotated and analysed with respect to both disease associations and the detection of compositional bias. The Uniprot Reference Proteome dataset, containing 11297 proteomes was used as target dataset for the comparative genomics of a well-defined subset of the Human Genome, including 100 characteristic, compositionally biased proteins, some linked to disease. Results: Cross-evaluation of compositional bias and disease-association in the human genome reveals a significant bias towards biased regions in disease-associated genes, with charged, hydrophilic amino acids appearing as over-represented. The phylogenetic profiling of 17 disease-associated, proteins with compositional bias across 11297 proteomes captures characteristic taxonomic distribution patterns. Conclusions: This is the first time that a combined genome-wide analysis of compositional bias, disease-association and taxonomic distribution of human proteins is reported, covering structural, functional, and evolutionary properties. The reported framework can form the basis for large-scale, follow-up projects, encompassing the entire human genome and all known gene-disease associations

On Birthing Dancing Stars: The Need for Bounded Chaos in Information Interaction

While computers causing chaos is acommon social trope, nearly the entirety of the history of computing is dedicated to generating order. Typical interactive information retrieval tasks ask computers to support the traversal and exploration of large, complex information spaces. The implicit assumption is that they are to support users in simplifying the complexity (i.e. in creating order from chaos). But for some types of task, particularly those that involve the creative application or synthesis of knowledge or the creation of new knowledge, this assumption may be incorrect. It is increasingly evident that perfect order—and the systems we create with it—support highly-structured information tasks well, but provide poor support for less-structured tasks.We need digital information environments that help create a little more chaos from order to spark creative thinking and knowledge creation. This paper argues for the need for information systems that offerwhat we term ‘bounded chaos’, and offers research directions that may support the creation of such interface

Comparative study of semiclassical approaches to quantum dynamics

Quantum states can be described equivalently by density matrices, Wigner functions or quantum tomograms. We analyze the accuracy and performance of three related semiclassical approaches to quantum dynamics, in particular with respect to their numerical implementation. As test cases, we consider the time evolution of Gaussian wave packets in different one-dimensional geometries, whereby tunneling, resonance and anharmonicity effects are taken into account. The results and methods are benchmarked against an exact quantum mechanical treatment of the system, which is based on a highly efficient Chebyshev expansion technique of the time evolution operator.Comment: 32 pages, 8 figures, corrected typos and added references; version as publishe

Suppression of decoherence via strong intra-environmental coupling

We examine the effects of intra-environmental coupling on decoherence by constructing a low temperature spin--spin-bath model of an atomic impurity in a Debye crystal. The impurity interacts with phonons of the crystal through anti-ferromagnetic spin-spin interactions. The reduced density matrix of the central spin representing the impurity is calculated by dynamically integrating the full Schroedinger equation for the spin--spin-bath model for different thermally weighted eigenstates of the spin-bath. Exact numerical results show that increasing the intra-environmental coupling results in suppression of decoherence. This effect could play an important role in the construction of solid state quantum devices such as quantum computers.Comment: 4 pages, 3 figures, Revtex fil

Gemini Principles

Up to 30% of annual spend across the built environment is lost in inefficiencies related to poor quality data1. This is seen in lost productivity due to underperforming economic and social infrastructure. Effective information management will enable better decisions, leading to financial savings, improved performance and service, and better outcomes for business and society per whole-life pound. To make this possible an information management framework is necessary. This paper seeks to build consensus on foundational definitions and guiding values – the Gemini Principles – and to begin enabling alignment on the approach to information management across the built environment.Funded by the Centre for Digital Built Britai