Search results for "Reference data"
showing 10 items of 35 documents
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory
2006
To reduce remaining basis-set errors in the determination of molecular equilibrium geometries, a basis-set extrapolation (BSE) scheme is suggested for the forces used in geometry optimizations. The proposed BSE scheme is based on separating the Hartree-Fock and electron-correlation contributions and uses expressions obtained by straightforward differentiation of well established extrapolation formulas for energies when using basis sets from Dunning's hierarchy of correlation-consistent basis sets. Comparison with reference data obtained at the R12 coupled-cluster level [CCSD(T)-R12] demonstrates that BSE significantly accelerates the convergence to the basis-set limit, thus leading to impro…
gcType : a high-quality type strain genome database for microbial phylogenetic and functional research
2020
Abstract Taxonomic and functional research of microorganisms has increasingly relied upon genome-based data and methods. As the depository of the Global Catalogue of Microorganisms (GCM) 10K prokaryotic type strain sequencing project, Global Catalogue of Type Strain (gcType) has published 1049 type strain genomes sequenced by the GCM 10K project which are preserved in global culture collections with a valid published status. Additionally, the information provided through gcType includes >12 000 publicly available type strain genome sequences from GenBank incorporated using quality control criteria and standard data annotation pipelines to form a high-quality reference database. This …
Towards a new generation of high-resolution meteorological input data for small-scale hydrologic modeling
2011
Summary Current and future challenges of hydrologic sciences are to accurately predict and assess climate-driven impacts on water resources for the relevant scales of planning. However, process-based small-scale hydrologic modeling is data demanding and large uncertainties exist in data-sparse areas. The aim of our study was to test the applicability of the COSMO-DE analysis data (COSMO-DE-A) for hydrologic modeling. COSMO-DE-A data are a new meteorological data set with high temporal and spatial resolution that originates from the German Weather Service data assimilation system using the COSMO-DE weather prediction model. We collected field parameters in a small (10 km 2 ) mountainous catc…
An efficient analytical approach for obtaining a five parameters model of photovoltaic modules using only reference data
2013
Exploiting the equivalent one-diode circuit of a photovoltaic (PV) module, this paper proposes a novel and fully analytical model to predict the electrical performance upon solar irradiance intensity and PV module temperature. The model refers essentially to an equivalent circuit governed by five parameters and the extraction of them permits to describe the current–voltage curve of the PV panel and consequently permits to assess the energy output of PV modules. The proposed model extracts the five characteristic parameters using only exact analytical relationship and tabular data always available such as short-circuit current, open circuit voltage and the Maximum Power Point (MPP). The diff…
Wear modelling in mild steel orthogonal cutting when using uncoated carbide tools
2007
Abstract Wear prediction in machining has been recently studied by FEM although the use of numerical methods for such applications is still a very challenging research issue. In fact, wear phenomenon involves many aspects related to process mechanics which require a very accurate modelling. In other words, only a very punctual code set-up can help the researchers in order to obtain consistent results in FE analysis. The high relative velocity between chip and tool requires effective material models as well as friction modelling at the interface. Moreover the prediction of temperature distribution is another critical task; in the paper some different procedures are discussed. Subsequently a …
Can Soft Models Describe Polymer Knots?
2020
Similar to macroscopic ropes and cables, long polymers create knots. We address the fundamental question whether and under which conditions it is possible to describe these intriguing objects with crude models that capture only mesoscale polymer properties. We focus on melts of long polymers which we describe by a model typical for mesoscopic simulations. A worm-like chain model defines the polymer architecture. To describe nonbonded interactions, we deliberately choose a generic "soft" repulsive potential that leads to strongly overlapping monomers and coarse local liquid structure. The soft model is parametrized to accurately reproduce mesoscopic structure and conformations of reference p…
Classification trees for preference data: a distance-based approach
2014
In the framework of preference rankings, when the interest lies in explaining which predictors and which interactions among predictors are able to explain the observed preference structures, the possibility to derive consensus measures using a classi cation tree represents a novelty and an important tool given its easy interpretability. In this work we propose the use of a multivariate decision tree where a weighted Kemeny distance is used both to evaluate the distances between rankings and to de ne an impurity measure to be used in the recursive partitioning. The proposed approach allows also to weight di erently high distances in rankings in the top and in the bottom alternatives.
Online reference database of European Y-chromosomal short tandem repeat (STR) haplotypes
2001
The reference database of highly informative Y-chromosomal short tandem repeat (STR) haplotypes (YHRD), available online at http://ystr.charite.de, represents the largest collection of male-specific genetic profiles currently available for European populations. By September 2000, YHRD contained 4688 9-locus (so-called "minimal") haplotypes, 40% of which have been extended further to include two additional loci. Establishment of YHRD has been facilitated by the joint efforts of 31 forensic and anthropological institutions. All contributing laboratories have agreed to standardize their Y-STR haplotyping protocols and to participate in a quality assurance exercise prior to the inclusion of any…
Disclosing progress in cancer survival with less delay
2019
Cancer registration plays a key role in monitoring the burden of cancer. However, cancer registry (CR) data are usually made available with substantial delay to ensure best possible completeness of case ascertainment. Here, we investigate empirically with routinely available data whether such a delay is mandatory for survival analyses or whether data can be used earlier to provide more up-to-date survival estimates. We compared distributions of prognostic factors and period relative survival estimates for three population-based CRs in Germany (Schleswig-Holstein (SH), Rhineland-Palatinate (RP), Saarland (SA)) computed on datasets extracted one (DY+1) to 5 years after the year of diagnosis (…
Development of a Reference Database for Beta-Delayed Neutron Emission
2021
Beta-delayed neutron emission is important for nuclear structure and astrophysics as well as for reactor applications. Significant advances in nuclear experimental techniques in the past two decades have led to a wealth of new measurements that remain to be incorporated in the databases. We report on a coordinated effort to compile and evaluate all the available beta-delayed neutron emission data. The different measurement techniques have been assessed and the data have been compared with semi-microscopic and microscopic-macroscopic models. The new microscopic database has been tested against aggregate total delayed neutron yields, time-dependent group parameters in 6-and 8-group re-present…