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Bayesian Inference of Atomistic Structure in Functional Materials

<pre>Configurational 5D DFT dataset of C60/TiO2 material accompanying the manuscript "Bayesian Inference of Atomistic Structure in Functional Materials" by M. Todorovic, M. U. Gutmann, J. Corander and P. Rinke.</pre>

The supplementary material for antenna transfer function (arXiv: 1901.09624)

The angular response for interferometric space based gravitational wave detectors, enclosed files are 2d and 3d plots animations for the response function when the  detector moves in the orbit. File names started with LISA/lisa are for LISA, those with TianQin/tq are for TianQin.

Cloud index fields, cloud motion fields, and supplementary material.

This contains the data used in the paper: "Intra-hour cloud index forecasting with data assimilation." It also includes supplementary material referenced in the above paper. The CI_CMV_data.tar file contains data.nc and data_opt_flow.nc files that are in netCDF4 format. The data.nc files contain cloud index fields derived from GOES-15 geostationary satellite images and wind fields from a Weather Research and Forecasting (WRF) model run. The WRF_run_attributes.txt file contains the parameters of the WRF model that generated the wind fields contained in the data.nc files. The data_opt_flow.nc files contain dense optical flow cloud motion data that were derived using the method described in [1]. The data.nc and data_opt_flow.nc files are in a directory of the form: /yyyy/mm/dd/ corresponding to the year, month and day of the data. The six videos are made from images from the GOES-15 geostationary satellite in the GOES-WEST position. The images are centered around Tucson, AZ. The domain of the images are from a latitude of approximately 27.22° N to 37.22° N and from a longitude of approximately 115.97° W to 105.97° W. All satellite images include a rectangle with dotted edges forming a region over Tucson, AZ that is 40 km from west to east and 56 km from south to north. Some satellite images contain a rectangle with solid edges. This rectangle surrounds a computational domain used in cloud index forecasting. Three of the six videos (sat_images_2014_04, sat_images_2014_05, and sat_images_2014_06) contain the images for April, May and June of 2014. The other three videos (sat_images_2014_04_15, sat_images_2014_04_26, and sat_images_2014_05_29) are for 4/15/2014, 4/26/2014, and 5/29/2014. There are also 500 mb height maps for these three days from <a href="https://www.wpc.ncep.noaa.gov/dailywxmap/">NCEP</a>.   [1] Sun, D., Roth, S., Black, M.J., 2010. Secrets of optical flow estimation and their principles, in: Proceedings of the IEEE Computer Society Conference on Computer Vision and Pattern Recognition, pp. 2432–2439. doi:10.1109/CVPR.2010.5539939.

Supplementary material for the paper: Application of Time-Averaged and Integral-Based Measure for Measurement Results Variability Reduction in GSM/DCS/UMTS Systems

Supplementary material for the paper: Application of Time-Averaged and Integral-Based Measure for Measurement Results Variability Reduction in GSM/DCS/UMTS Systems

BAMB Materials Passport Platform Dataset

The BAMB Materials Passport Platform Dataset contains the platform´s full data used to create material passports during the Buildings as Material Banks Project (BAMB) by the work package 2 team from September 2015 until February 2018.

opencc-by-sa-4.0Feb 2019View details →

Contextual Documentation Referencing on Stack Overflow — Supplementary Material

Supplementary material for our paper "Contextual Documentation Referencing on Stack Overflow".

Planning as Optimization: Online Learning of Situations and Optimal Configurations - SASO 2019 - Accompanying material

These files are accompanying material for our submission "" to SASO 19: Many approaches apply optimization techniques in SASs, mostly within the planning procedure, to generate new system configurations or adaptation plans. We performed an analysis of these techniques based on approaches published during the last ten years in conferences and journals related to self-adaptive systems (SASs), namely ACM Transactions on Autonomous and Adaptive System (TAAS), the International Conference on Autonomic Computing and Communications (ICAC), the International Conferences on Self-Adaptive and Self-Organizing Systems (SASO), the International Symposium on Software Engineering for Adaptive and Self-Managing Systems (SEAMS), and the Symposium on the Foundations of Software Engineering (FSE). We identified the use of 29 different techniques in 51 publications. This list shows that a large set of techniques from different classes such as probabilistic, combinatorial, evolutionary, stochastic, mathematical, and meta-heuristic optimization are applied in SASs.   We provide two files: - List of References (SASO - References -  Planning_as_Optimization.pdf) - Dataset (SASO - Dataset -  Planning_as_Optimization.xlsx)

The outcomes of carbon-oxygen white dwarfs accreting CO-rich material

MESA inlist associated files for <a href="https://ui.adsabs.harvard.edu/#abs/2019MNRAS.483..263W/abstract">The outcomes of carbon-oxygen white dwarfs accreting CO-rich material</a>

opencc-by-4.0Dec 2018View details →

The effect of numerical aperture on quantitative use-wear studies and its implication on reproducibility [complement to Supplementary Material 4]

Python script and results of the Bayesian Multi-factor ANOVA. Instructions to download all files at once are given here: <a href="https://doi.org/10.5281/zenodo.4011952">https://doi.org/10.5281/zenodo.4011952</a>

Composición de volcanitas negras de la cuenca del río Limay (muestras 2015 y 2017). Material complementario

Datos composicionales de volcanitas negra en la cuenca del río Limay. Material complementario para el artículo "Materia prima de la cantera Paso Limay: nuevos datos composicionales" (Massaferro, Vitores y Crivelli Montero). Los análisis fueron realizados por ALS Argentina para la serie 2015_ (se determinaron elementos mayores y trazas mediante técnicas de plasma inductivamente acoplado y espectrometría de masas -ICP-MS- y Fluorescencia de Rayos X). La serie 2017_ fue analizada por Bureau Veritas Canadá (se determinaron elementos traza por ultra plasma inductivamente acoplado y espectrometría de masas -ICP-MS-).

Supplementary material: Non-resonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations

Supplementary material to the manuscript: A. Y. Adam, P. Jensen, A. Yachmenev, S. N. Yurchenko, Non-resonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations, J. Chem. Phys., submitted Contains several files <ol> <li>Makefile, main.f90, accuracy.f90, xy3_alpha.f90 - Makefile and Fortran 90 source code files for computing the electric polarizability tensor of CH3.  To compile the program: type make To run: ./main.x ch3_alpha.par ch3_alpha.dat >ch3_alpha.out  </li> <li>ch3_alpha.dat - ASCII file containing molecular Cartesian coordinates and reference (ab initio computed) values of polarizability tensor (everything is in atomic units). Each line correspond to a different molecular geometry, Cartesian coordinates are listed in the following order: x(C), y(C), z(C), x(H1), y(H1), z(H1), x(H2), y(H2), z(H2), x(H3), y(H3), z(H3). Starting from the column no. 13, the values of polarizability tensor elements are listed, the order is: alpha_xx, alpha_xy, alpha_xz, alpha_yx, alpha_yy, alpha_yz, alpha_zx, alpha_zy, alpha_zz. The last column contains the reference electronic energy in cm-1.  </li> <li>ch3_alpha.par - ASCII file containing parameters of symmetry-adapted analytical functions used to represent the polarizability tensor.  </li> <li>ch3_alpha.out - output file contains Cartesian coordinates of atoms, computed from analytical functions polarizability tensor (only symmetric elements), deviations from the reference data, and reference energy.  </li> <li>CH3_RAMAN_R0_R2_JMAX20 and CH3_LEVELS_JMAX20_EMAX14000: Raman line list for CH3. CH3_RAMAN_R0_R2_JMAX20 contains Raman transitions in the following form: ------------------------------------------------------------------------------- Bytes  Format        Label  Explanations ------------------------------------------------------------------------------- 1-  9  i9              ---    N'    Upper state ID number (refers to a state in file CH3_LEVELS_JMAX20_EMAX14000) 10- 18  i9           ---    N"    Lower state ID number (refers to a state in file CH3_LEVELS_JMAX20_EMAX14000) 47- 68  f10.4      ---    nu   Transition wavenumber, in units cm-1 47- 68  f22.16    ---    A     R0^2 matrix element, in units [(ea0)^2/E_h]^2 80- 101 f22.16   ---    A     R2^2 matrix element, in units [(ea0)^2/E_h]^2 ------------------------------------------------------------------------------- CH3_LEVELS_JMAX20_EMAX14000  ------------------------------------------------------------------------------- Bytes Format   Label  Explanations ------------------------------------------------------------------------------- 2- 3   i2        ---   J       [0/40] J-quantum number J is the total angular momentum excluding nuclear and electronic spin 6- 14  i9       ---   N      State ID number, non-negative integer index, starting at 1 17- 19  a3    ---   G      Total state symmetry in D3h(M), Gamma = A1', A2', E', A1", A2", E" 23- 32  i12   ---  E       State energy term value in cm-1 36- 38  i2     ---   Gr     Rotational component  symmetry in D3h(M) 40- 42  i3     ---   K      [0/85] Projection of J onto z axis of molec., in units of hbar 44- 45  i2     ---   Pr     [0/1] Rotational parity tau, defined as (-1)^tau 51- 53  a3    ---   Gv    Vibrational component  symmetry in D3h(M) 54- 57  i2     ---   n1     TROVE vibrational quantum number for C-H1 local model stretch 58- 61  i4     ---   n2     TROVE vibrational quantum number for C-H2 local model stretch 62- 65  i4     ---   n3     TROVE vibrational quantum number for C-H3 local model stretch 66- 69  i4     ---   n4     TROVE vibrational quantum number for Ea symmetry-adapted CCH local mode bend 70- 73  i4     ---   n5     TROVE vibrational quantum number for Eb symmetry-adapted CCH local mode bend 74- 77  i4     ---   n6     TROVE vibrational quantum number for out-of-plane (umbrella-type) bending mode 81- 85  f5.3  ---   C^2   [0/1] Largest coeffcient. -------------------------------------------------------------------------------</li> </ol>

Crack propagation in heterogenous radiated material.

Plot representing equations in string form used to implicitly propagate a crack in radiated material.

opencc-by-4.0Apr 2019View details →

Training material for analysis small RNA-seq data (Galaxy Training Network tutorial)

The data provided here is part of the Galaxy Training Network tutorial for analysis of small RNA-seq (sRNA-seq) data using mirdeep2 and miranda. This dataset is provided by INRA (Le Rheu, France).

opencc-by-4.0May 2019View details →

Supplementary materials for the manuscript entitled "Comprehensive Identification, Phylogenetic Analysis and Expression Profiling of Multicopper Oxidase Genes in Maize"

Table S1. Gene IDs and names of maize and Arabidopsis MCOs Figure S1. Phylogenetic tree of protein sequences of multicopper oxidase (MCO) of maize and Arabidopsis with rectangular layout. Branches are not cladogram-transformed. Shown in nodes are bootstrap support. The tree is polar layout, and branches are cladogram-transformed. Maize IDs are labeled in brown. Clades representative of SKS, LAC and AAO are labeled in blue, red and green, respectively. The tree is reconstructed by PhyML with 1000 bootstrap replicates. Figure S2. Chromosome map depicting location of maize MCOs, with gene IDs shown in the map. Figure legend is the same as Figure 2. Figure S3. Phylogenetic tree of maize and Arabidopsis AAOs. The trees are rectangular layout. The tree is reconstructed by PhyML with 1000 bootstrap replicates. Shown in nodes are bootstrap support.

opencc-by-4.0Jun 2019View details →

A taxonomy for improving industry-academia communication in IoT vulnerability management. Additional Material

Research interview and Workshop Protocol from the paper "A taxonomy for improving industry-academia communication in IoT vulnerability management".

opencc-by-4.0Oct 2018View details →

Nanopore sequence analysis - Galaxy Training Material

Twelve MDR plasmids harboring samples were prepared according to the MinION library construction protocols, followed by library sequencing. After 8 hours of sequencing run, a total of 287 725 reads ranging from dozens to tens of thousands of bases in length were obtained, covering a total of 493 Mbp. The raw data were subjected to several stages of processing, including basecalling, de-multiplexing, fasta sequence extraction. For this tutorial one out of the twelve samples is chosen as example. This dataset is extracted of a project studying the Efficient generation of complete sequences of MDR-encoding plasmids by rapid assembly of MinION barcoding sequencing data (<a href="https://doi.org/10.1093/gigascience/gix132">https://doi.org/10.1093/gigascience/gix132</a>)

opencc-by-4.0Apr 2018View details →

Supplementary Material Chapter 4 - Decomposition of aquatic pioneer vegetation in newly constructed wetlands

Supplementary Material to Chapter 4 "Decomposition of aquatic pioneer vegetation in newly constructed wetlands" of PhD thesis from Ciska Overbeek, "Peat formation on a former landfill - Production and decomposition of aquatic pioneer vegetation".  Published by Overbeek et al in 2018 in Ecological Engineering 114: 154-161. https://doi.org/10.1016/j.ecoleng.2017.06.046.

opencc-by-4.0Jun 2019View details →

6th International Conference "Fracture Mechanics of Materials and Structural Integrity" (June 3–6, 2019, Lviv, Ukraine)

12.06.2019 03–06 червня 2019 року у м. Львові відбулася 6-та Міжнародна конференція з механіки руйнування матеріалів і цілісності конструкцій (“Fracture Mechanics of Materials and Structural Integrity”, FMSI 2019). Співорганізаторами конференції виступили Європейське товариство з цілісності конструкцій (European Structural Integrity Society, ESIS), Українське товариство з механіки руйнування матеріалів, Фізико-механічний інститут імені Г.В. Карпенка НАН України та Національний університет “Львівська політехніка”. Матеріали прес-служби НАН України

opencc-by-4.0Jul 2019View details →

Evolution of Formal Model-based Assurance Cases for Autonomous Robots: Supplemental Material

This report contains supplemental material for the paper Evolution of Formal Model-based Assurance Cases for Autonomous Robots accepted at Software Engineering and Formal Methods 2019 in Oslo. This material provides more details about the two discussed assurance case patterns, their implementation in Isabelle/SACM the instantiation of these patterns for the presented example, as well as Isabelle skripts for the theoretical part and the example.

InCLosure Code for Real Automatic Differentiation: Supplementary Material for Article "A Consistent and Categorical Axiomatization of Differentiation Arithmetic Applicable to First and Higher Order Derivatives"

InCLosure Code for Real Automatic Differentiation: Supplementary Material for Article "A Consistent and Categorical Axiomatization of Differentiation Arithmetic Applicable to First and Higher Order Derivatives", Punjab University Journal of Mathematics, October 2019. Download latest release of InCLosure via <a href="https://doi.org/10.5281/zenodo.2702404">https://doi.org/10.5281/zenodo.2702404</a>