Green function techniques in the treatment of quantum transport at the molecular scale

The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include out-of-equilibrium situations typical for electrical/heat transport as well as to take into account interaction effects in a systematic way. Equilibrium Green function techniques and their extension to non-equilibrium situations via the Keldysh formalism build one of the pillars of current state-of-the-art approaches to quantum transport which have been implemented in both model Hamiltonian formulations and first-principle methodologies. We offer a tutorial overview of the applications of Green functions to deal with some fundamental aspects of charge transport at the nanoscale, mainly focusing on applications to model Hamiltonian formulations.Comment: Tutorial review, LaTeX, 129 pages, 41 figures, 300 references, submitted to Springer series "Lecture Notes in Physics

On the Chemical Origin of the Gap Bowing in (GaAs)1−xGe2x Alloys: A Combined DFT–QSGW Study

Motivated by the research and analysis of new materials for photovoltaics and by the possibility of tailoring their optical properties for improved solar energy conversion, we have focused our attention on the (GaAs)1−xGe2x series of alloys. We have investigated the structural properties of some (GaAs)1−xGe2x compounds within the local-density approximation to density-functional theory, and their optical properties within the Quasiparticle Self-consistent GW approximation. The QSGW results confirm the experimental evidence of asymmetric bandgap bowing. It is explained in terms of violations of the octet rule, as well as in terms of the order–disorder phase transition

Search for New Physics Using Quaero: A General Interface to D0 Event Data

We describe Quaero, a method that i) enables the automatic optimization of searches for physics beyond the standard model, and ii) provides a mechanism for making high energy collider data generally available. We apply Quaero to searches for standard model WW, ZZ, and ttbar production, and to searches for these objects produced through a new heavy resonance. Through this interface, we make three data sets collected by the D0 experiment at sqrt(s)=1.8 TeV publicly available.Comment: 7 pages, submitted to Physical Review Letter

Inverse correlation between E-cadherin and Snail expression in hepatocellular carcinoma cell lines in vitro and in vivo

Hepatocellular carcinoma is a well-known malignancy in the world. However, the molecular mechanism of carcinogenesis and tumour progression remains unclear. Recently, reduced E-cadherin expression due to transcriptional suppressor Snail was proven in a panel of epithelial and dedifferentiated cells derived from carcinomas of various etiologies. In the present study, we examined Snail and E-cadherin mRNA/protein expression in five hepatocellular carcinoma cell lines with variable phenotypes (HuL-1, Hep-G2, Changliver, HLE, and HLF). The results demonstrated that the presence of Snail mRNA in HuL-1, Changliver, HLE and HLF cells detected by RT–PCR, which was further proven by in situ hybridization in tumours induced by HuL-1, Changliver, and HLF cells where Snail mRNA signals expressed in each of the sections. By contrast, E-cadherin mRNA and protein expression were only detected in Hep-G2 cells by RT–PCR and Western blot, respectively. These results were also consistent with the data obtained from in vivo immunohistochemical staining where membranous expression of endogenous E-cadherin protein was revealed only in tumour sections induced by Hep-G2 cells. Here we are the first to report that there is an inverse correlation between Snail and E-cadherin expression in HCC cells as well

Search for first-generation scalar and vector leptoquarks

We describe a search for the pair production of first-generation scalar and vector leptoquarks in the eejj and enujj channels by the D0 Collaboration. The data are from the 1992--1996 ppbar run at sqrt{s} = 1.8 TeV at the Fermilab Tevatron collider. We find no evidence for leptoquark production; in addition, no kinematically interesting events are observed using relaxed selection criteria. The results from the eejj and enujj channels are combined with those from a previous D0 analysis of the nunujj channel to obtain 95% confidence level (C.L.) upper limits on the leptoquark pair-production cross section as a function of mass and of beta, the branching fraction to a charged lepton. These limits are compared to next-to-leading-order theory to set 95% C.L. lower limits on the mass of a first-generation scalar leptoquark of 225, 204, and 79 GeV/c^2 for beta=1, 1/2, and 0, respectively. For vector leptoquarks with gauge (Yang-Mills) couplings, 95% C.L. lower limits of 345, 337, and 206 GeV/c^2 are set on the mass for beta=1, 1/2, and 0, respectively. Mass limits for vector leptoquarks are also set for anomalous vector couplings

Search for single top quark production at D0 using neural networks

We present a search for electroweak production of single top quarks in ~90 pb^-1 of data collected with the DZero detector at the Fermilab Tevatron collider. Using arrays of neural networks to separate signals from backgrounds, we set upper limits on the cross sections of 17 pb for the s-channel process ppbar->tb+X, and 22 pb for the t-channel process ppbar->tqb+X, both at the 95% confidence level

Data assimilation in a system with two scales-combining two initialization techniques

11 pages, 11 figures, 1 tableFull-text version available Open Access at: http://clivar.iim.csic.es/?q=es/node/319An ensemble Kalman filter (EnKF) is used to assimilate data onto a non-linear chaotic model, coupling two kinds of variables. The first kind of variables of the system is characterized as large amplitude, slow, large scale, distributed in eight equally spaced locations around a circle. The second kind of variables are small amplitude, fast, and short scale, distributed in 256 equally spaced locations. Synthetic observations are obtained from the model and the observational error is proportional to their respective amplitudes. The performance of the EnKF is affected by differences in the spatial correlation scales of the variables being assimilated. This method allows the simultaneous assimilation of all the variables. The ensemble filter also allows assimilating only the large-scale variables, letting the small-scale variables to freely evolve. Assimilation of the large-scale variables together with a few small-scale variables significantly degrades the filter. These results are explained by the spurious correlations that arise from the sampled ensemble covariances. An alternative approach is to combine two different initialization techniques for the slow and fast variables. Here, the fast variables are initialized by restraining the evolution of the ensemble members, using a Newtonian relaxation toward the observed fast variables. Then, the usual ensemble analysis is used to assimilate the large-scale observationsThis study is supported by the Spanish National Science Program under contracts ESP2005–06823-C05 and ESP2007–65667-C04Peer reviewe