cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dzaszj
title: Crustacean Specimens of the Famous collector Mr. Seiji Nagai

description: The crustacean specimens collection of Mr. Seiji Nagai, remaining part of the registration of 2003 report of WMNH Nagai collection.
DOI: 10.18126/i0uopqf3j3sw
title: A Single Pair of Weyl Fermions  in Half-metallic  EuCd 2 As 2 Semimetal

description: arXiv:1901.08234

Title: A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal
Authors: Lin-Lin Wang, Na Hyun Jo, Brinda Kuthanazhi, Yun Wu, Robert J. McQueeney, Adam Kaminski and Paul C. Canfield

llw@ameslab.gov

Band structures in Fig.1, 3 and 5 have been calculated in VASP.5.2.12 with PBE+U+SOC and other settings for different magnetic configurations.

Crystal structure in Fig.1b has been plotted in Vesta-3.4.0.

Berrycurvature in Fig.1f and Fermi arcs in Fig.2 have been calculated in WannierTools-2.0 using tight-binding model constructed with maximally localized Wannier functions in Wannier90-2.1.0.

Band structures in Fig.4 have been plotted for the 4-band low-energy Hamiltionian with parameters listed in the main text.
DOI: 10.18126/1ovyiqourcmlg
title: Short-Range Order Structure Motifs Learned from an Atomistic Model of a Zr50Cu45Al5 Metallic Glass

description: Classical molecular dynamics trajectories for Zr50Cu45Al5 metallic glass as a function of temperature during cooling. Analysis of the atomic positions using motif extraction and point pattern matching. Resulting motifs describing the short-range order of the glass.
DOI: 10.18126/d3gck322
title: Machine learning optimization of p-type transparent conducting materials

description: P-type transparent conducting materials (p-TCMs) are important components of optoelectronic devices including solar cells, ultraviolet photodetectors, displays, and flexible sensors. Cu-Zn-S (CZS) thin films prepared by chemical bath deposition (CBD) can have both high transparency in the visible range (>80%) as well as excellent hole conductivity (>1000 S cm-1). However, the interplay between the deposition parameters in the CBD process (metal and sulfur precursor concentrations, temperature, pH, complexing agents, etc.) creates a multi-dimensional parameter space such that optimization for a specific application is challenging and time consuming. Here, we show that strategic design of experiment (DOE) combined with machine learning (ML) allows for efficient optimization of p-TCM performance. The approach is guided by a figure of merit (FOM) calculated from the film conductivity and optical transmission in the desired spectral range. A specific example is shown using two steps of optimization using a selected subset of 4 experimental CBD factors. The machine learning model is based on support vector regression (SVR) employing a radial basis function (RBF) as the kernel function. 10-fold cross-validation was performed to mitigate overfitting. After the first round of optimization, predicted areas in the parameter space with maximal FOMs were selected for a second round of optimization. Films with optimal FOMs were incorporated into heterojunction solar cells and transparent photodiodes. The optimization approach shown here will be generally applicable to any materials synthesis process with multiple parameters.
DOI: 10.18126/8v3wxz72
title: Virtual Excited State Reference for the Discovery of Electronic Materials (VERDE Materials DB)
DOI: 10.18126/m2v65z
title: Dataset for Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations
DOI: 10.15468/qat8r5
title: Projet de parc éolien de la Croix Guingal, sur la commune de Derval (44 590) - Croix Guingal - Chiro - Etude ballon 2016 Transit automnal

description: étude des chiroptères en période de transit automnal 2016 par ballon Hélium et 2 enregistreurs automatiques dans le cadre du projet éolien de la Croix Guingal
DOI: 10.15468/bw4eyh
title: Microzooplankton abundance and biomass at station TT050_15-3
DOI: 10.6084/m9.figshare.25292674
title: ND70 paper_Raw NRA Spectra

description: Raw NRA Spectra from article: "ND70 series basaltic glass reference materials for volatile element (H<sub>2</sub>O, CO<sub>2</sub>, S, Cl, F) analysis and the C ionisation efficiency suppression effect of water in silicate glasses in SIMS analysis." by Moussallam et al.,
DOI: 10.6084/m9.figshare.25292674.v1
title: ND70 paper_Raw NRA Spectra

description: Raw NRA Spectra from article: "ND70 series basaltic glass reference materials for volatile element (H<sub>2</sub>O, CO<sub>2</sub>, S, Cl, F) analysis and the C ionisation efficiency suppression effect of water in silicate glasses in SIMS analysis." by Moussallam et al.,
DOI: 10.18126/m2zw7j
title: Fundamental insights about interlayer cation migration in Li-ion electrodes at high states of charge

description: Calculated dataset to assess effects of composition on interlayer cation migration in common transition-metal oxides used in battery cathodes.
DOI: 10.18126/m23p9g
title: G4MP2-GDB9 Database

description: An ASE database containing G4MP2 and B3LYP energies for GDB9 molecules.
DOI: 10.18126/m2pm0n
title: Heusler Structure Magnetic Shape Memory Alloys - Shape Memory Design Lab

description: Dataset of total energies and magnetic properties of Heusler structure shape memory alloys generated from density functional theory calculations
DOI: 10.18126/m28d30
title: Data for "Tracking ultrafast photocurrents in the Weyl semimetal TaAs using THz emission spectroscopy"

description: Datafiles for figures in manuscript "Tracking ultrafast photocurrents in the Weyl semimetal TaAs
using THz emission spectroscopy"
DOI: 10.15468/zuegh8
title: 2013_DREAL PACA - N2000 - Pays Provence Verte_1

description: 2013_FR9301618:DREAL PACA - N2000 - Pays Provence Verte:Inventaire DOCOB FR9301618
DOI: 10.15468/jnqwye
title: Projet photovoltaïque de Bologne - Données chiroptères

description: Données issues des inventaires chiroptères dans le cadre de l'étude d'impact du projet de centrale photovoltaïque au sol de Bologne.
DOI: 10.18126/m2qm0z
title: Ex-situ XCT dataset for "X-ray computed tomography of microstructure evolution during matrix impregnation and curing in unidirectional fiber beds"

description: The dataset consists of X-ray Computed Tomography (XCT) scans and complementary data (see metadata) for observation of microstructure evolution resulting from impregnation and curing of a preceramic polymer in unidirectional fiber beds.
DOI: 10.15468/3rfyn9
title: Records of Nyctereutes procyonoides from the territory of Chornobyl Radiation and Ecological Biosphere Reserve, Ukraine

description: Records of Nyctereutes procyonoides from the territory of Chornobyl Radiation and Ecological Biosphere Reserve, Ukraine collected during 2012-2022
DOI: 10.15468/dm6eed
title: Parc éolien Coyecques extension (Mont de Ponche) - suivis 2021 - 2021_suivi_avifaune_hivernant

description: Suivi de l'avifaune hivernante sur l'ensemble du parc (Mont de Ponche et Coyecques extension)
DOI: 10.18126/m2v937
title: In-situ XCT dataset for "Insights from in-situ X-ray computed tomography during axial impregnation of unidirectional fiber beds" and "X-ray computed tomography of microstructure evolution during matrix impregnation and curing in unidirectional fiber beds"

description: The dataset consists of X-ray Computed Tomography (XCT) scans and complementary data (see metadata) for observation of microstructure evolution during impregnation of a preceramic polymer in unidirectional fiber beds.
DOI: 10.18126/m20355
title: XCT dataset for "In-situ 3D visualization of composite microstructure during polymer-to-ceramic conversion"

description: The dataset consists of X-ray Computed Tomography (XCT) scans and complementary data (see metadata) for observation of composite microstructure during polymer-to-ceramic conversion.
DOI: 10.15468/22jjg6
title: SEGALASSES ENERGIE_SUIVIS ENVIRONNEMENTAUX_2020 - SEGALASSES ENERGIE - Suivis 2020 - chiroptères

description: Suivi de l'activité des chiroptères à hauteur de nacelle du parc éolien de Ségalasses
DOI: 10.15468/cjj2jn
title: Parc éolien d'Argillières - chiroptères en canopée

description: chiroptères en canopée / Projet de construction d'un parc éolien de 6 aérogénérateurs de 115m de hauteur de mât, soit 180m de hauteur bout de pâle et 2 postes de livraison.
DOI: 10.15468/pxdax6
title: Centrale de Production d'Energie Renouvelable de BENA - Bena_INSECT_INV

description: Listes des espèces d'insectes contactées dans le cadre des expertises liées au projet éolien de Bena (86). faunistiques.
DOI: 10.15468/y7te6k
title: Projet éolien de Bertaignemont - Chiro au sol TA 2020 Bertaignemont

description: Inventaires chiroptèrologiques complémentaires au sol en transit automnal 2020
DOI: 10.15468/deuw3b
title: Projet d'aménagement de la ZAC Satory Ouest - Reptiles - Inventaire non standardisé - 1

description: Liste des reptiles observés dans le cadre des prospections de terrain réalisées au niveau de l'aire d'étude du projet de la ZAC de Satory Ouest dans le cadre de l'établissement de l'état initial. Observations opportunistes.
DOI: 10.15468/ushec6
title: Projet d'aménagement de Brazza à Bordeaux - Données Faune

description: Le projet Brazza s'étend sur 53 hectares de friches industrielles en cœur d'agglomération, il a comme objectif de faire muter une zone monofonctionnelle d'activités en un quartier urbain mixte développant 468 500 m² de surface de plancher et accueillant une programmation économique plus diversifiée (activités, bureaux, commerces, hôtellerie, loisirs) mais également des logements et des équipements publics. Ce secteur est situé dans le lit majeur de la Garonne, en rive droite, le projet peut de ce fait avoir un impact sur cette zone inondable. Par ailleurs, l'histoire industrielle de ce secteur nécessite une gestion des terres polluées au regard des nouveaux usages liés au projet urbain. Enfin, ce secteur étant en friche depuis plusieurs années, des espèces végétales et animales s'y sont installées. Le projet peut donc avoir un impact sur celles-ci et leur habitat.
DOI: 10.15468/g2shbk
title: PE D'AMFREVILLE-LES-CHAMPS - Données Faune flore. Projet Parc éolien Amfreville les Champs

description: Données faune flore acquises dans le cadre des études naturalistes concernant le projet de parc éolien d'Amfreville les Champs (76)
DOI: 10.15468/jwk8tr
title: Suivi Environnemental 2021-2022 de la Ferme éolienne du Lindier - Mortalité éolienne L03 15/09/2021 Lindier

description: Suivi de mortalité 2021 Lindier
DOI: 10.15468/txjdnf
title: RACCORDEMENT ELECTRIQUE DE LA FERME EOLIENNE FLOTTANTE DE GROIX ET BELLE-ILE - Création de la liaison sous-marine et souterraine à 63 000 volts - Campagne benthos Intertidal 2017-Raccordement du parc éolien Groix/Belle-île

description: Campagne des peuplements benthiques réalisé en mars 2017 à l'aide d'un carottier au niveau des atterrages potentiels du raccordement électrique de la ferme éolienne flottante de Groix & Belle-île
DOI: 10.15468/rgm2z3
title: Parc Eolien BASSE THIERACHE NORD - Suivi mortalité BTN 2019 Période 2 - Cadavre 2 éolienne BTN 6

description: Données de suivi de mortalité 2019 pour le parc éolien BTN Période 2 - Cadavre 2 au niveau de l'éolienne BTN 6
DOI: 10.15468/n9qrv4
title: Swedish Malaise Trap Project (SMTP) - Aulacigastridae

description: Occurrences in this dataset on Swedish Insects have been identified from specimens collected from for the Swedish Malaise Project (SMTP), an inventory funded by the Swedish Species Information Centre (ArtDatabanken). These records comprise the foundation for recent estimates on the size and composition of the Swedish insect fauna, published herein as sample-based datasets.
DOI: 10.15468/8jbjjp
title: Peces Criptobentonicos en los arrecifes coralinos del PN Archipiélago de Los Roques Venezuela

description: Los peces criptobentónicos, son abundantes en el arrecife,pero por su reducido tamaño pueden no ser tan evidentes en estos ambientes. Estos peces desarrollan todo su ciclo de vida en el arrecife y se encuentran estrechamente vinculados con los corales y otros elementos del componente bentónico sésil. Son muy escasos los estudios ecológicos que aporten información sobre la estructura de esta ictiofauna criptobentónicos, ya que los métodos de conteos visuales, que son los más utilizados en la actualidad, no los toman en cuenta, particularmente cuando son evaluaciones rápidas. En tal sentido, este trabajo representa el primer aporte al conocimiento de estas comunidades en los arrecifes del Parque Nacional Archipiélago de Los Roques (PNALR). Se identificaron 30 especies pertenecientes a 6 familias: Blenniidae, Chaenopsidae, Gobiesocidae, Gobiidae, Labrisomidae y Tripterygiidae. Se hace el reporte de una nueva especie para Venezuela: Coralliozetus cardonae, de la familia Chaenopsidae.
DOI: 10.15468/g58759
title: Création d'un plateforme de préparation de biomasse et de Combustibles Solides de Récupération (CSR) à Rogerville (76) - Amphibiens - Inventaire non protocolé

description: Liste des espèces d'amphibiens observées dans le cadre des prospections de terrain réalisées au niveau de l'aire d'étude rapprochée du projet d'étude d'impact sur commune de Rogerville(76)
DOI: 10.15468/bjr8mc
title: Buret - Suivi post implantation parc éolien - 53 - Buret - Activité chiroptères 2019

description: Suivi activité des chiroptères au sol 2019
DOI: 10.18126/m2wk9k
title: Transfer of Rotationally Commensurate MoS2 from Epitaxial Graphene

description: This dataset corresponds to an accepted manuscript.
DOI: 10.18126/m2w93j
title: Ground Truths for Semantic Segmentation of Dendrites via Machine Learning

description: Ground truths from the training, validation, and test sets used to train neural nets to recognize dendrites
DOI: 10.18126/m2rm08
title: Raw Images for Semantic Segmentation of Dendrites via Machine Learning

description: Raw images from the training, validation, and test sets used to train dendrite neural nets
DOI: 10.18126/m21d12
title: Mechanisms of Ultrafast Charge Separation in a PTB7/Monolayer MoS2 van der Waals Heterojunction

description: This data corresponds to the following publication: 10.1021/acs.jpclett.8b00628.
DOI: 10.18126/m2135g
title: S200 SiC/SiC Seral Section Data and Fiber Chirality Codes with Tutorial

description: The contents of this publication include a tutorial to approximate the chirality, or twist, of fibers in a fiber reinforced ceramic matrix composite. There is a sample dataset that contains images of a SiC matrix composite with SiC reinforcement fibers. The MATLAB code performs the velocity gradient analysis and visualizes the results of this analysis. In the near future, the authors intend on publishing a paper about the derivation of the applied methods, which will be titled: "Mesoscale Characterization of Continuous Fiber Reinforced Composites Through Machine Learning: Fiber Chirality".
DOI: 10.18126/m26351
title: Dataset for Atomic Layer Deposition of Molybdenum Oxides with Tunable Stoichiometry Enables Controllable Doping of MoS2
DOI: 10.18126/m29s67
title: Data for Overcoming the Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density Fitting

description: Data for "Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo
Simulations with Interpolative Separable Density Fitting."
=====================

In this dataset you will find:
1. The analysed data and plotting scripts necessary to reproduce the figures in the above
paper.
2. The raw data produced from qmcpack calculations:
    - convergence/ (with respect to ISDF rank parameter c):
        - 2x2x2/:
            - DZ/
            - TZ/
        - 3x3x3/
            - DZ/
            - TZ/
    - cold_curve/ (AFQMC results for cold curve)
        - sparse/
        - thc/
    - cohesive_energy/
        - solid/
            - 2x2x2
            - 3x3x3
            - 4x4x4
        - atom/
            - cc-pvdz
            - cc-pvtz
            - cc-pvqz

The general procedure for running qmcpack using ISDF for the integrals is as follows:
1. Run a mean field calculation to generate the MO matrix. In All directories you should
find the checkpoint file generated by pyscf (*.dump) which will contain the necessary data.
The script to generate this data will be called kpoints.py.
2. Generate the supercell MOs and trial wavefunction from mean field dump file. This is
generated using the script dump_wfn.py which will be distributed with qmcpack with the
thc++ code in the future.
3. Run thc++ to generate the ISDF factorization. Input files for this step are located in
the calculation subdirectories (typically called input.json).
4. Run qmcpack using the xml input file (also located in the subdirectories).
5. Analyse the output (*.scalar.dat) using analysis script.
DOI: 10.18126/m24s8f
title: Appendices to Silver nanoparticle wetting treatment in sol-gel derived zinc oxide thin films

description: transparent conductive oxide; silver-doped zinc oxide; Sol-gel thin films; organic solvent surface wetting; intra-layer surface treatment; PGME-solvent sol-gel; surface morphology
DOI: 10.18126/m2fd0d
title: Data for Motif Extraction from Zr50Cu45Al5 Metallic Glass Models
DOI: 10.15468/jkrecf
title: Parc éolien Puy Laquois Sud - fichier SINP_Puy-du-Lac

description: Données biodiversité
DOI: 10.15468/xdrxkc
title: Freshwater macroinvertebrates sampling of the Delaikoro mountain range, Vanua Levu, Fiji

description: Freshwater macroinvertebrates sampled and identified from water catchments in the Delaikoro mountain range in 2013 are recorded in this dataset. The records compiled in this dataset were part of a baseline survey for the proposed Greater Delaikoro Area protected area under a Global Environment Fund and Food and Agricultural Organisation of the United Nations, Forest Protected Area Management project conducted in Fiji.
DOI: 10.18126/m28k90
title: Dataset for Compton profile of VO2 across the metal-insulator transition: evidence of a non-Fermi liquid metal

description: Dataset for "Compton profile of VO2 across the metal-insulator transition: evidence of a non-Fermi
liquid metal", Ilkka Kylanpaa, Ye Luo , Olle Heinonen, Paul R. C. Kent, and Jaron T. Krogel (2019).
DOI: 10.18126/m2m932
title: Surface Mass Diffusion on bcc(011) Planes; V, Nb, Ta and Mo
DOI: 10.15468/sdrq7y
title: Der Kleintierbesatz alpiner Grünland- und Ackerböden

description: This dataset is part of Edaphobase. Edaphobase is a data warehouse that collects information from literature, museum collections and research data about the distribution and ecology of soil organisms (earthworms, potworms, nematodes, springtails, proturans, diplurans, moss/beetle mites, gamasina mites, centipedes, millipedes, woodlice, soil fungi and soil prokaryotes). You can discover the whole Edaphobase data here: https://portal.edaphobase.org/ To get more information about Edaphobase please go to: https://edaphobase.org/ Data ownersElisabeth Butschek Discover the datahttps://portal.edaphobase.org/?qxenv:action:gbif&qxenv:sources:259
DOI: 10.15468/7644s4
title: Réseau Loup - Lynx ONCFS - Réseau Loup-Lynx : Répartition communale Occasionnelle du Loup en 1995

description: Cartographie de synthèse de la présence détectée du Loup en France métropolitaine par un réseau de correspondants départementaux multipartenaire, formé et piloté par l'OFB sur le plan scientifique et technique et géré administrativement au niveau local par les DDT. Ce jeu de donnée ventile la présence de l'espèce sur les mailles 10km x 10km européenne selon la régularité des observations (présence dite occasionnelle vs régulière de l'espèce), sur la base de la récurrence spatiale et la quantité d'indices ou constats d'attaques validés au cours de la dernière triennale biologique (ex: données recueillies entre le 01/04/2017 et le 31/03/2020 pour l'exercice 2020). Ce jeu de donnée correspond à la présence Occasionnelle de l'espèce.
DOI: 10.15468/vr5nrk
title: Données du Parc national de la Guadeloupe - Données d'oiseaux par contact auditif en coeur de Parc dans le cadre d'un suivi de l'Organiste louis-d'or (Euphonia musica)

description: Liste des espèces contactées suite à la pose d'un enregistreur à l'Aire de Beausoleil en 2020, dans le cadre d'un suivi de l'Organiste louis-d'or (Euphonia musica)
DOI: 10.15468/ppzqh2
title: Projet de construction d'une chaudière biomasse/CSR pour alimenter en énergie un réseau de chaleur urbain et industriel - Reptiles - Inventaire non protocolé

description: Liste des espèces de reptiles observées dans le cadre des prospections de terrain réalisées au niveau de l'aire d'étude rapprochée du projet de construction d'une chaudière biomasse/CSR sur la commune de Gonfreville l'Orcher (76) pour alimenter un réseau de chaleur urbain et industriel
DOI: 10.15468/88qd35
title: 2020_GCP_3

description: 2019_GCP:GCP / données fournies par GCP en 2020
DOI: 10.18126/m2qw8r
title: Dataset for Polyelectrolyte Complexation of Oligonucleotides by Charged Hydrophobic – Neutral Hydrophilic Block Polymers

description: “Polyelectrolyte Complexation of Oligonucleotides by Charged Hydrophobic – Neutral Hydrophilic Block Polymers“

Alexander E. Marras, Jeffrey R. Vieregg, Jeffrey M. Ting, Jack D. Rubien, Matthew V. Tirrell

Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637

contact via twitter @AEMarras, @J_Ting1 or jvieregg@uchicago.edu

preprint DOI: 10.26434/chemrxiv.7456322.v1

Files include background subtracted small angle X-ray scattering (SAXS) data from the Advanced Photon Source at Argonne National Laboratory. Data is organized by cation type (poly-l-lysine-PEG vs. poly-vinylbenzyltrimethyl-ammonium) and nucleic acid hybridization (single-stranded vs. double-stranded).
description: Polyelectrolyte complex micelles (PCMs, core-shell nanoparticles formed by complexation of a polyelectrolyte with a polyelectrolyte-hydrophilic neutral block polymer) offer an attractive solution to the critical problem of delivering therapeutic nucleic acids, but few structure-property studies have been carried out to date. We present data comparing oligonucleotide PCMs formed with poly(vinylbenzyl trimethylammonium) as the cationic block to those using poly(lysine), which is more commonly used. Despite its higher charge density, increased hydrophobicity, and permanent charge, pVBTMA appears to complex DNA more weakly than does poly(lysine). Using small angle X-ray scattering and electron microscopy, we find that, at physiological ionic strength, PCMs formed from both cationic blocks exhibit very similar structure-property relationships, with PCM radius determined by the cationic block size and shape controlled by the hybridization state of the oligonucleotides. These observations narrow the design space for optimizing therapeutic PCMs and provide new insights into the rich polymer physics of polyelectrolyte self-assembly.
DOI: 10.17909/2vak-me71
title: JWST GO 2334 - LHS1140b

description: The data contains two observations of primary transit of LHS1140b. The two transits were observed by JWST using the NIRSpec instrument; one transit was observed with the G235H grating and one transit with the G395H grating.
DOI: 10.18126/m2505p
title: NaxCoO2 phase stability and hierarchical orderings in the O3/P3 structure family

description: The dataset contains VASP calculations for Na-vacancy orderings in various host structures of NaxCoO2 enumerated using the CASM code (https://github.com/prisms-center/CASMcode).