cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5287/bodleian:qmowo9q06
title: Pull-in dynamics of overdamped microbeams

description: We study the dynamics of MEMS microbeams undergoing electrostatic pull-in. At DC voltages close to the pull-in voltage, experiments and numerical simulations have reported `bottleneck' behaviour in which the transient dynamics slow down considerably. This slowing down is highly sensitive to external forces, and so has widespread potential for applications that use pull-in time as a sensing mechanism, including high-resolution accelerometers and pressure sensors. Previously, the bottleneck phenomenon has only been understood using lumped mass-spring models that do not account for effects such as variable residual stress and different boundary conditions. We extend these studies to incorporate the beam geometry, developing an asymptotic method to analyse the pull-in dynamics. We attribute bottleneck behaviour to critical slowing down near the pull-in transition, and we obtain a simple expression for the pull-in time in terms of the beam parameters and external damping coefficient. This expression is found to agree well with previous experiments and numerical simulations that incorporate more realistic models of squeeze film damping, and so provides a useful design rule for sensing applications. We also consider the accuracy of a single-mode approximation of the microbeam equations --- an approach that is commonly used to make analytical progress, without systematic investigation of its accuracy. By comparing to our bottleneck analysis, we identify the factors that control the error of this approach, and we demonstrate that this error can indeed be very small.
DOI: 10.17632/669xrdcwry.1
title: Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems

description: We present the Alternating Anderson-Richardson (AAR) method: an efficient and scalable alternative to preconditioned Krylov solvers for the solution of large, sparse linear systems on high performance computing platforms. Specifically, we generalize the recently proposed Alternating Anderson-Jacobi (AAJ) method (Pratapa et al., 2016) to include preconditioning, discuss efficient parallel implementation, and provide serial MATLAB and parallel C/C++ implementations. In serial applications to nonsymmetric systems, we find that AAR is comparably robust to GMRES, using the same preconditioning, while often outperforming it in time to solution; and find AAR to be more robust than Bi-CGSTAB for the problems considered. In parallel applications to the Helmholtz and Poisson equations, we find that AAR shows superior strong and weak scaling to GMRES, Bi-CGSTAB, and Conjugate Gradient (CG) methods, using the same preconditioning, with consistently shorter times to solution at larger processor counts. Finally, in massively parallel applications to the Poisson equation, on up to 110,592 processors, we find that AAR shows superior strong and weak scaling to CG, with shorter minimum time to solution. We thus find that AAR offers a robust and efficient alternative to current state-of-the-art solvers, with increasing advantages as the number of processors grows.
DOI: 10.17632/hhh5w9xvm9.1
title: Research data on microbial diversity and antibiotic profile of bacterial isolates from St. Joseph hospital sewage water discharge, Roma, Lesotho

description: In this data article, hospital sewage water microbial diversity and antimicrobial profile of microorganisms in the system are referred. In total, six dominant representative strains were isolated. Of which, five strains: Klebsiella spp, Staphylococcus spp, Enterobacter spp, Pseudomonas spp and Escherichia coli were identified (Table 1). Among the three sampling sites, pond system B was known to have high diversity compared to the other sites. The order is still maintained the same for evenness (Equitability indexing (ED), where site B is 1.00 followed by site A (0.93) and site C (0.71). Overall, site B found to have high diversity and evenness, which can be described as a stable environment for its high number of species and high number of individuals (Figure 1 and Table 2). It is documented that antibiotics may favour the microbial adaptation by reducing their toxicity (Jia et al., 2008). The antibiotic profile of the isolated strains against the ten different antibiotics have shown resistance to ampicillin, amoxycillin and vancomycin while some were still 100% susceptible to ciprofloxacin and norflocin. Development of antibiotic resistance and selection pressure has also been reported (Chee-Sanford et al., 2009; Wang et al., 2014). Chloramphenicol and erythromycin however shown fractions among R and S; 67% and 33% as well as 17% and 83%, respectively. Neomycin shown fractions for I (67%) and S (33%) while, kanamycin and streptomycin had percentage fractions for all class (Table 3, 4 and 5).
DOI: 10.17632/5k8wjrhgwh.1
title: Causal set generator and action computer

description: The causal set approach to quantum gravity has gained traction over the past three decades, but numerical experiments involving causal sets have been limited to relatively small scales. The software suite presented here provides a new framework for the generation and study of causal sets. Its efficiency surpasses previous implementations by several orders of magnitude. We highlight several important features of the code, including the compact data structures, the O(N^2) causal set generation process, and several implementations of the O(N^3) algorithm to compute the Benincasa-Dowker action of compact regions of spacetime. We show that by tailoring the data structures and algorithms to take advantage of low-level CPU and GPU architecture designs, we are able to increase the efficiency and reduce the amount of required memory significantly. The presented algorithms and their implementations rely on methods that use CUDA, OpenMP, x86 Assembly, SSE/AVX, Pthreads, and MPI. We also analyze the scaling of the algorithms’ running times with respect to the problem size and available resources, with suggestions on how to modify the code for future hardware architectures.
DOI: 10.17632/67s34xswkz.1
title: Data for: Inattentional Blindness: Role in Adapting to the Environment

description: Data for: Inattentional Blindness: Role in Adapting to the Environment
DOI: 10.17632/84ww5n6yrm.1
title: iHixs 2 - Inclusive Higgs cross sections

description: We present a new release of the program iHixs. This easy-to-use tool allows to derive state of the art predictions for the inclusive production cross section of a Higgs boson at hadron colliders in the gluon fusion production mode. This includes the most up-to-date corrections in perturbative QCD and electro-weak theory, effects due to finite quark masses as well as an option to perform threshold resummation. In particular, exact perturbative QCD corrections through N^3LO are included in the heavy top quark effective theory. Furthermore, iHixs contains automatic routines that allow to assess residual uncertainties on the prediction for the Higgs boson production cross section according to well established standard definitions. iHixs can be obtained from https://github.com/dulatf/ihixs.
DOI: 10.17632/rfs3ngkyky.1
title: Data for: How anxiety and attentional bias interact with each other: the role of cognitive appraisal in the bidirectional relation

description: The dataset of the study "How anxiety and attentional bias interact with each other: the role of cognitive appraisal in the bidirectional relation", which includes the raw data of the four experiments.
DOI: 10.5255/ukda-sn-8284-4
title: Opinions and Lifestyle Survey, Drinking Module, January - February, April - May, July - August and October - November, 2016
DOI: 10.5255/ukda-sn-8298-3
title: Opinions and Lifestyle Survey, Internet Access Module, January, February and April, 2016
DOI: 10.5255/ukda-sn-8325-3
title: Public Perceptions of Climate Change across Four European Countries: United Kingdom, France, Germany and Norway, 2016
DOI: 10.5281/zenodo.1341016
title: Dataset For Network Simulator Comparison

description: Dataset for network simulator comparison
DOI: 10.5281/zenodo.1341017
title: Dataset For Network Simulator Comparison

description: Dataset for network simulator comparison
DOI: 10.17632/65m665nt9c.1
title: A high-order cross-platform incompressible Navier–Stokes solver via artificial compressibility with application to a turbulent jet

description: Modern hardware architectures such as GPUs and manycore processors are characterised by an abundance of compute capability relative to memory bandwidth. This makes them well-suited to solving temporally explicit and spatially compact discretisations of hyperbolic conservation laws. However, classical pressure-projection-based incompressible Navier–Stokes formulations do not fall into this category. One attractive formulation for solving incompressible problems on modern hardware is the method of artificial compressibility. When combined with explicit dual time stepping and a high-order Flux Reconstruction discretisation, the majority of operations can be cast as compute bound matrix-matrix multiplications that are well-suited for GPU acceleration and manycore processing. In this work, we develop a high-order cross-platform incompressible Navier–Stokes solver, via artificial compressibility and dual time stepping, in the PyFR framework. The solver runs on a range of computer architectures, from laptops to the largest supercomputers, via a platform-unified templating approach that can generate/compile CUDA, OpenCL and C/OpenMP code at runtime. The extensibility of the cross-platform templating framework defined within PyFR is clearly demonstrated, as is the utility of P-multigrid for convergence acceleration. The platform independence of the solver is verified on Nvidia Tesla P100 GPUs and Intel Xeon Phi 7210 KNL manycore processors with a 3D Taylor–Green vortex test case. Additionally, the solver is applied to a 3D turbulent jet test case at Re=10,000, and strong scaling is reported up to 144 GPUs. The new software constitutes the first high-order accurate cross-platform implementation of an incompressible Navier–Stokes solver via artificial compressibility and P-multigrid accelerated dual time stepping to be published in the literature. The technology has applications in a range of sectors, including the maritime and automotive industries. Moreover, due to its cross-platform nature, the technology is well placed to remain relevant in an era of rapidly evolving hardware architectures. The previous version of this program (AETY_v1_0) may be found at http://dx.doi.org/10.1016/j.cpc.2014.07.011
DOI: 10.17632/86ygms76pb.1
title: Predicting Rice Phenotypes with Meta-Learning

description: Rice genotype and phenotype data. The genotype data has ~12,000 features and the phenotype data has twelve traits.
DOI: 10.17632/knw84c6hb5.1
title: This datdaset is linked with "Effect of a CendR Peptide Modification on Antitumor Activity of Thymosin Alpha1"

description: This dataset contains: Adhesion Tumor model CD spectropy HC-induced model
DOI: 10.17632/n66yg8mdzs.1
title: Capture cross section with quantum diffusion approach

description: A C++ code for calculating the capture of a projectile by target nucleus is described. The code is based on the quantum diffusion model developed for considering collisions of nuclei at energies below and above the Coulomb barrier. The code provides the capture cross sections and other characteristics of reaction as functions of E_{c.m.}. The formalism of the model is briefly described. The code contains the Fortran subroutine to calculate the nucleus–nucleus potential.
DOI: 10.17632/nppz4y7wg7.1
title: SHAVEL: A program for the spherical harmonic analysis of a horizontal vector field sampled in an equiangular grid on a sphere

description: A method for performing a spherical harmonic analysis, using observed horizontal components of a tangent vector on a sphere, is presented. The vector data samples are assumed to be provided in an equiangular grid, which essentially simplifies the least-squares analysis by making use of (1) the block diagonal structure of the normal equations of least squares; (2) the even–odd symmetry of the associated Legendre functions, and (3) the fast Fourier transform of mix-radix. The correct function of the program and its numerical precision is verified by applying it to a data set, derived by evaluating a given set of vector spherical harmonic coefficients. That the program works correctly is demonstrated by the excellent agreement between the input and output spherical harmonic coefficients.
DOI: 10.17632/pym39s7vy7.1
title: CutLang: A Particle Physics Analysis Description Language and Runtime Interpreter

description: This note introduces CutLang, a domain specific language that aims to provide a clear, human readable way to define analyses in high energy particle physics (HEP) along with an interpretation framework of that language. A proof of principle (PoP) implementation of the CutLang interpreter, achieved using C++ as a layer over the CERN data analysis framework ROOT, is presently available. This PoP implementation permits writing HEP analyses in an unobfuscated manner, as a set of commands in human readable text files, which are interpreted by the framework at runtime. We describe the main features of CutLang and illustrate its usage with two analysis examples. Initial experience with CutLang has shown that a just-in-time interpretation of a human readable HEP specific language is a practical alternative to analysis writing using compiled languages such as C++.
DOI: 10.21227/ch8e-x385
title: 2D Resource Allocation

description: This is the dataset for the paper "Resource Optimization with Flexible Numerology and Frame Structure for Heterogeneous Services".
DOI: 10.5281/zenodo.1341024
title: Backgroun In Computational Tools (Data Science Summer School Goettingen)

description: Here is a dataset to understand the computational tools background of participants
DOI: 10.5281/zenodo.1341025
title: Backgroun In Computational Tools (Data Science Summer School Goettingen)

description: Here is a dataset to understand the computational tools background of participants
DOI: 10.5517/ccdc.csd.cc1zc6dy
title: CCDC 1828020: Experimental Crystal Structure Determination

description: Related Article: Manisha Das, Gavin A. Craig, Daniel Escudero, Mark Murrie, Antonio Frontera, Debashis Ray|2018|New J.Chem.|42|14349|doi:10.1039/C8NJ02131G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1zc6fz
title: CCDC 1828021: Experimental Crystal Structure Determination

description: Related Article: Manisha Das, Gavin A. Craig, Daniel Escudero, Mark Murrie, Antonio Frontera, Debashis Ray|2018|New J.Chem.|42|14349|doi:10.1039/C8NJ02131G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1zc6g0
title: CCDC 1828022: Experimental Crystal Structure Determination

description: Related Article: Manisha Das, Gavin A. Craig, Daniel Escudero, Mark Murrie, Antonio Frontera, Debashis Ray|2018|New J.Chem.|42|14349|doi:10.1039/C8NJ02131G
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/9m25gy8cz6.1
title: SAMSABC results for workforce scheduling and balancing problem in sub-assembly lines with limited buffers

description: SAMSABC results for workforce scheduling and balancing problem in sub-assembly lines with limited buffers
DOI: 10.17632/9m25gy8cz6.2
title: SAMSABC results for workforce scheduling and balancing problem in sub-assembly lines with limited buffers

description: SAMSABC results for workforce scheduling and balancing problem in sub-assembly lines with limited buffers
DOI: 10.17632/g4pkmhtmd9.1
title: Spectral behavior of plasmon enhanced fluorescence in organic-inorganic perovskite quantum dots solutions

description: Hybrid lead halide perovskite quantum dots are of great interest in different fields of optoelectronic devices for their unique properties. Many efforts have been done to improve their performance. In this work the effect of localized surface plasmon resonance (LSPR) of gold nanoparticles in vicinity of CH3NH3PbBr3 perovskite quantum dots is investigated and the result of spectral overlapping between the fluorescence peak of quantum dots and LSPR peak of nanoparticles is studied. For quantum dots showing emission peak with higher energy than LSPR energy, quenching of fluorescence occurs but for quantum dots with emission peak slightly red shifted compared to LSPR, fluorescence is enhanced by the factor of 2
DOI: 10.17632/jwvnmcgfpv.1
title: Temperature shocks, growth and poverty thresholds: evidence from rural Tanzania

description: Replication package for Marco Letta, Pierluigi Montalbano and Richard S.J. Tol (2018), Temperature shocks, growth and poverty thresholds: evidence from rural Tanzania, World Development.
DOI: 10.17632/ms52ym7vcn.1
title: EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure applications

description: We present a bio-inspired stochastic optimization strategy that optimizes projector augmented wave (PAW) datasets, for a user-specified pressure range, to realize the highest possible accuracy in high-throughput density functional theory calculations within the framework of PAW method. We named the optimizer “Evolutionary Generator of projector augmented wave datasets” (EPAW-1.0). The self-learning evolutionary algorithms in EPAW-1.0 adaptively tune some of the PAW parameters (such as different radii, and reference energies) to generate evolutionary optimized PAW (EPAW) datasets. In the course of designing EPAW dataset with a specific pseudo partial waves and projectors generation scheme, the code keeps the user-specified electronic configuration unaltered and the augmentation radius (r_c) on the verge of the user allowed maximum without resulting in sphere overlap. The EPAW-1.0 algorithm homes on to a soft, transferable and unified EPAW dataset using various measures including the equation of state (EoS) of standard elemental materials within a user-specified pressure range that allows probing ~50% volume compression with respect to the equilibrium atomic volume (corresponding to the energy minimum). The measures used by the EPAW algorithm also can be used to balance the efficiency and accuracy of the dataset.
DOI: 10.17632/p84kp3df94.1
title: Weather, Climate and Total Factor Productivity

description: Replication package for Marco Letta and Richard S.J. Tol (2018) Weather, Climate and Total Factor Productivity, Environmental and Resource Economics.
DOI: 10.17632/rv7fdm5gkf.1
title: PASTA: Python Algorithms for Searching Transition stAtes

description: Chemical reactions are often associated with an energy barrier along the reaction pathway which hinders the spontaneity of the reaction. Changing the energy barrier along the reaction pathway allows one to modulate the performance of a reaction. We present a module, Python Algorithms for Searching Transition stAtes (PASTA), to calculate the energy barrier and locate the transition state of a reaction efficiently. The module is written in python and can perform nudged elastic band, climbing image nudged elastic band and automated nudged elastic band calculations. These methods require the knowledge of the potential energy surface (and its gradient along some direction). This module is written such that it works in conjunction with density functional theory (DFT) codes to obtain this information. Presently it is interfaced with three well known DFT packages: Vienna Ab initio Simulation Package (VASP), Quantum Espresso and Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA). This module is easily extendable and can be interfaced with other DFT, force-field or empirical potential based codes. The uniqueness of the module lies in its user-friendliness. For users with limited computing resources, this module will be an effective tool as it allows to perform the calculations image by image. On the other hand, users with plentiful computing resources (such as users in a high performance computing environment) can perform the calculations for large number of images simultaneously. This module gives users complete flexibility, thereby enabling them to perform calculations on large systems making the best use of the available resources.
DOI: 10.17632/s8d4t32rwr.1
title: Vapor-Liquid-Equilibria of ethanol/nitrogen and decane/nitrogen at elevated temperatures and pressures

description: VLE data are presented for the systems ethanol/nitrogen and decane/nitrogen, ranging from 3 MPa - 8 MPa pressure and from ambient temperature to mixture critical or boiling point temperature, respectively. Compositions are given for the vapor as well as for the liquid phase, including standard deviations from 32 measurements per data point. Data were produced using a Raman spectroscopy-based microcapillary setup, measurements were thus performed in-situ and remotely. The whole capillary system is pressurized by non-pulsating syringe pumps and a continuous segmented flow of vapor and liquid phases is established. A part of the capillary is heated to the desired pressure, thermodynamic equilibrium is reached fast due to high surface/volume ratio in the micro capillary. Compositions are measured in the respective phases by Raman spectroscopy.
DOI: 10.17632/snymdjtpsx.1
title: Improved response of osteoprogenitor cells to titanium plasma-sprayed PEEK surfaces

description: This data relates to the manuscript of the same name and can be reproduced by following the methods described in said manuscript.
DOI: 10.17632/x2mtvmbgft.1
title: Data for: The impact of sea-level rise on Early Holocene coastal socio-ecosystems in the western Mediterranean

description: Dataset of the analyses of the sediment cores from the Pego-Oliva basin (Valencian gulf, Spain): 1-Table of the results of the radiocarbon dates (csv file). 2-Table of the results of the sedimentological analyses (csv file).
DOI: 10.23721/109/1462989
title: internet_outage_adaptive_a32all-20180401 (04/01/2018 to 07/01/2018)

description: Combined reachability information for over 3.5M /24 subnets; this dataset is created by post-processing data from datasets internet_outage_adaptive_a32c-20180401 internet_outage_adaptive_a32e-20180401 internet_outage_adaptive_a32g-20180401 internet_outage_adaptive_a32j-20180401 internet_outage_adaptive_a32n-20180401 internet_outage_adaptive_a32w-20180401
DOI: 10.23721/109/1462990
title: internet_outage_adaptive_a32c-20180401 (04/01/2018 to 07/01/2018)

description: To collect this data, all allocated and responsive Internet IP address blocks were pinged by sending ICMP ECHO_REQUEST (PING) packet. The block status was recorded in this data set. Probe was repeated every 11 minutes, and more quickly when uncertain about block status. In all, approximately 3.5M /24 subnets were periodically probed.