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917 results for “Theorie”
Chiroptical properties of streptorubin B – the synergy between theory and experiment.
<p>Computational analysis of the calculated and measured optical rotation (OR) together with other calculated chiroptical properties such as electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) of the prodigiosin alkaloid streptorubin B</p>
Research Data supporting "Linear-Scaling Density Functional Theory using the Projector Augmented Wave Method"
<p>Research Data supporting "Linear-Scaling Density Functional Theory using the Projector Augmented Wave Method" by Nicholas D. M. Hine</p>
Theory and implementation of inelastic Constitutive Artificial Neural Networks: Source code and data
<p>This dataset contains the source code of the inelastic Constitutive Artificial Neural Network (iCANN) as well as the data for the examples from the publication:</p> <p>Holthusen, H., Lamm, L., Brepols, T., Reese, S., & E. Kuhl.<em> Theory and implementation of inelastic Constitutive Artificial Neural Networks.</em></p> <p>arXiv: <a href="https://doi.org/10.48550/arXiv.2311.06380">https://doi.org/10.48550/arXiv.2311.06380</a></p> <p>Computer Methods in Applied Mechanics and Engineering: <a href="https://doi.org/10.1016/j.cma.2024.117063">https://doi.org/10.1016/j.cma.2024.117063</a></p> <p> </p> <p><strong>01_Example01: </strong> Artificially generated data</p> <p>This example investigates whether the iCANN is able to discover a model for the data generated by a continuum mechanical model.</p> <p> </p> <p><strong>02_Example02:</strong> Discovering a model for the polymer VHB 4910 subjected to cyclic loading</p> <p>Here, we investigate the ability of iCANN to discover and learn a model for the material response of VHB 4910 polymer subjected to cyclic loading at different stretch rates.</p> <p>The experimental data are taken from the literature:</p> <p>Hossain, M., Vu, D. K., & Steinmann, P. (2012). Experimental study and numerical modelling of VHB 4910 polymer. <em>Computational Materials Science</em>, <em>59</em>, 65-74.</p> <p><a href="https://doi.org/10.1016/j.commatsci.2012.02.027">https://doi.org/10.1016/j.commatsci.2012.02.027</a></p> <p> </p> <p><strong>03_Example03: </strong>Discovering a model for passive skeletal muscle subjected to relaxation</p> <p>In this example, we investigate whether the iCANN is able to discover a model for the material behavior of passive skeletal muscles. A total of five independent experiments are carried out in which the maximum applied compression stretch and the stretch rate are varied. In addition, the learning performance of the iCANN is investigated. Training is first carried out in each of the five experiments and then in each of four of the five experiments.</p> <p>The experimental data are taken from the literature:</p> <p>Van Loocke, M., Lyons, C. G., & Simms, C. K. (2008). Viscoelastic properties of passive skeletal muscle in compression: stress-relaxation behaviour and constitutive modelling. <em>Journal of biomechanics</em>, <em>41</em>(7), 1555-1566.</p> <p><a href="https://doi.org/10.1016/j.jbiomech.2008.02.007">https://doi.org/10.1016/j.jbiomech.2008.02.007</a></p> <p> </p> <p><strong>python_requirements.txt: </strong>File containing a list of installed Python modules used to implement the iCANN</p>
A multiscale theory for spreading and migration of adhesion-reinforced mesenchymal cells
<p>We present a chemomechanical whole-cell theory for the spreading and migration dynamics of mesenchymal cells that can actively reinforce their adhesion to an underlying viscoelastic substrate as a function of its stiffness. Our multiscale model couples the adhesion reinforcement effect at the subcellular scale with the nonlinear mechanics of the nucleus-cytoskeletal network complex at the cellular scale to explain the concurrent monotonic area-stiffness and non-monotonic speed-stiffness relationships observed in experiments: We consider that large cell spreading on stiff substrates flattens the nucleus, increasing the viscous drag force on it. The resulting force balance dictates a reduction in the migration speed on stiff substrates. We also reproduce the experimental influence of the substrate viscosity on the cell spreading area and migration speed by elucidating how the viscosity may either maintain adhesion reinforcement or prevent it depending on the substrate stiffness. Additionally, our model captures the experimental directed migration behavior of the adhesion-reinforced cells along a stiffness gradient, known as durotaxis, as well as up or down a viscosity gradient (viscotaxis or anti-viscotaxis), the cell moving towards an optimal viscosity in either case. Overall, our theory explains the intertwined mechanics of the cell spreading, migration speed and direction in the presence of the molecular adhesion reinforcement mechanism. </p>
The VR Documentary – History, Theory, Examples
<p>While VR has now almost become established on the games market for home use by several large commercial manufacturers of displays and content providers, the use in the educational context is not yet very large. This applies in particular to artistic projects that, like documentary film, want to combine public education and creative expression. But especially at festivals that take place regularly (such as the DOK Neuland section of the Leipzig Documentary Film Festival), there are spaces to present innovative non-fictional projects – and the demand is not small, there are usually even waiting lists for use. The lecture would like to approach this new form between creative practice, world building and interactive user integration in three parts: First, it will deal with the (recent) history of VR and ask about the essential factors in the implementation of current forms. Second, methods and theories are presented that emphasize the potential for innovation – also compared to linear documentary film or other digital forms like web docs – and I will outline the special nature of the form between experience, storytelling and participation. Third and lastly, of course, some examples should also be presented briefly, which have received a lot of encouragement from users and practitioners in recent years. These are selected in such a way that they describe as many different modalities of non-fictional VR as possible. Florian Mundhenke, PD Dr. phil. habil., since 2020 Associate Professor for Cultural and Media Studies (DAAD) at the Institute for Modern Languages and Cultural Studies at University of Alberta in Edmonton/Canada. From 2018-2020 Temporary Professor (W3) for Media Studies and Media Culture at University of Leipzig. Before he was Senior Lecturer at the Institute for Media and Communication (IMK) at University of Hamburg, Associate Professor for Media Hybridity ("Juniorprofessor für Mediale Hybride") at the University of Leipzig, and Research Assistant at University of Marburg. He was speaker of the DFG-funded research network "Cinema as an experience space": www.erfahrungsraum-kino.de. PhD dissertation on the phenomenon of chance in film in 2008 (Marburg: Schueren). Habilitation (Lecture qualification thesis) on hybrid forms between documentary and fictional film in 2016 (Wiesbaden: Springer VS). Fields of research include intersections of arts and media in history and practice (intermedial, transcultural), non-fictional media (documentary film, VR films, i-docs, AR), methods and concepts of Digital Humanities in media studies, theories of media genres and genre development, intersectional media theory (gender, race, class, ideology), and world cinema with a focus on the Far East (Japan, Korea, Taiwan). </p><p>Florian Mundhenke https://apps.ualberta.ca/directory/person/mundhenk </p><p>Email: mundhenk@ualberta.ca</p>
Recolonization of secondary forests by a locally extinct Caribbean anole through the lens of range expansion theory
<p>Disturbance and recovery dynamics are characteristic features of many ecosystems. Disturbance dynamics are widely studied in ecology and conservation biology. Still, we know less about the ecological processes that drive ecosystem recovery. The ecological processes that mediate ecosystem recovery stand at the intersection of many theoretical frameworks. Range expansion theory is one of these complementary frameworks that can provide unique insights into the population-level processes that mediate ecosystem recovery, particularly fauna recolonization. Although the biodiversity patterns that follow fauna recolonization of recovering forests have been well described in the literature, the ecological processes at the population level that drive these patterns remain conspicuously unknown. In this study, we tested three fundamental predictions of range expansion theory during the recolonization of recovering forests in Puerto Rico by a shade specialist anole, <em>Anolis</em> <em>gundlachi</em>. Range expansion theory predicts that individuals at the early stages of recolonization (i.e., younger forests) would have a high prevalence of dispersive traits, experience less density dependence, and suffer less parasitism. To test these predictions, we conducted a chronosequence study applying space-for-time substitution where we compared phenotypic traits (i.e., body size, body condition, and relative limb size), population density, population growth rates, and <em>Plasmodium</em> parasitism rates among lizard populations living in young (< 30 years), mid (40–60 years), and old-growth forests (> 75 years). Lizard populations in younger forests had lower densities, higher population growth rates, and lower rates of <em>Plasmodium</em> parasitism compared with old-growth forests. Still, while we found that individuals had larger body sizes, and longer forelimbs in young forests in one site, this result was not consistent among sites. This suggests a potential trade-off between the traits that provide a dispersal advantage during the initial stages of recolonization and those that are advantageous to establish in novel environmental conditions. Overall, our study emphasizes the suitability of range expansion theory to describe fauna recolonization but also highlights that the ecological processes that drive recolonization are time-dependent, complex, and nuanced.</p>
Predicting the pre-service teachers' teaching intention from educator-created (dis)empowering climates: A self-determination theory-based longitudinal approach
<p><span>Guided by self-determination theory, this two-wave longitudinal research aims to examine the associations between pre-service teachers’ perceptions of educator-created (dis-)empowering climates and their teaching intention, considering the bright and dark motivational pathways. A total of 1,258 secondary pre-service teachers (55.5% women, <em>M<sub>age =</sub></em> 26.17, <em>SD </em>= 5.66) have participated. The results from path analysis have shown positive associations between educator-created empowering climates and need satisfaction, autonomous motivation, and teaching intention in pre-service teachers, while educator-created disempowering climates have been positively related to pre-service teachers’ need frustration, controlled motivation and amotivation. The conclusions have suggested that pre-service teachers’ perceptions of educator-created (dis-)empowering climates during their initial teacher education programme play a determining role in their teaching intention. </span></p>
Data and geometries for "Understanding X-ray absorption in liquid water using triple excitations in multilevel coupled cluster theory"
<p>Geometries and raw and processed data for the paper "Understanding X-ray absorption in liquid water using<br>triple excitations in multilevel coupled cluster theory"</p> <p>This work has received funding from the European Research Council (ERC)<br>under the European Union’s Horizon 2020 Research and Innovation Program<br>(grant agreement no. 101020016 and 860553), the Research Council of Norway through FRINATEK (project no. 275506), the Swedish Research Council (grant agreement no. 2021-04521), the Independent Research Fund Denmark--Natural Sciences, DFF-RP2 (grant no. 7014-00258B)<br>Computing resources from UNINETT Sigma2—the National Infrastructure for High Performance Computing<br>and Data Storage in Norway (project no. NN2962k),<br>from DeIC—Danish Infrastructure Cooperation (grant no. DeiC-DTU-N3-2023027), and from the Swiss National Supercomputing Centre (project ID uzh1).</p>
Evaluation of the administrative management model in a municipality in Peru, incorporating the Intelligent Organization Theory
<p><strong>Background:</strong> This study begins with the analysis of the current management models and their degree of effectiveness in municipal administration. Its aim is to design an administrative management model that enables effective administration in the District Municipality of Nueva Cajamarca, Peru, based on the theory of intelligent organizations.</p><p><strong>Method: </strong>The research type employed in this study is diagnostic-propositional, utilizing both deductive and inductive methods, in alignment with a mixed-method approach and a non-experimental nature of the study. Data was collected from three distinct populations, including the 189 municipal employees engaged in administrative roles, who were subjected to a 50-question survey. This survey aimed to assess their perceptions regarding the current management model and its relationship with administrative effectiveness. Additionally, interviews were conducted with three experts to gain deeper insights into the behavior of the variables under investigation.</p><p><strong>Results: </strong>Finally, documentary information about the management models currently in use was collected. This facilitated the triangulation of data collection, processing, analysis, and inferences from three sources of information. The results reveal a positive, direct, and significant correlation between the management model and administrative effectiveness. It becomes evident that the current management model is deficient, resulting in a low level of administrative effectiveness</p><p><strong>Conclusion: </strong></p><p>The management model based on the theory of intelligent organizations was validated using a rubric by experts in effective management. The main pillars of this model include transformational leadership, structural change, and cultural change.</p>
Radiation theory of VLF waves generated by beating HF waves in the anisotropic ionosphere
<p>Data sets and matlab code supporting for reseach article "Radiation theory of VLF waves generated by beating HF waves in the anisotropic ionosphere".</p>
OEtiBCh structures at 10 different levels of theory, full reaction pathways
<p>The archive contains full reaction pathway of MeCl reduction by OEtiBCh at 10 different levels of theory as xyz coordinates.</p>
data for article "Theory informed, experiment based, constraint on the rate of autoxidation chemistry – An analytical approach"
<p>The files contain the data from simulations shown in plots for main manuscript figures and SI figures. Further, a preliminary autoCONSTRAINT verion to reproduce the results shown is attached and the PyCHAM model used to create CIMS-like inputs to autoCONSTRAINT referenced (model inputs are attached). For any questions on the data contact: office@pi-numerics.com</p> <p>Detailed information on the file content is provided in file "SI_data_description"</p>
Dataset and source code for "Explanation and optimizing multi-model blending algorithm using random variables theory"
<p>this dataset contain: </p> <ol> <li>2m temperature de-biased model forecast data on station location, ECMWF, NCEP, JP and CMA</li> <li>2m temperature observaton data, obs_t2m</li> <li>24H QPF model forecast data on station location, ECMWF, NCEP, CMA-GFS, in raw_data_r24.zip</li> <li>24H precipitation data, in raw_data_r24.zip</li> <li>source code (in python)</li> </ol> <p> </p> <p>how to use it: </p> <p>1. prepare data and python environment<br> 1.1 if you want to run [Station_FCST_MMWB.py] or [Station_FCST_MMWB_r24.py] , please download the station forecast and observation data<br> 1.2 neet meteva package to read/write micaps-3 format data: https://github.com/nmcdev/meteva<br> 1.3 need cartopy to draw picture FigS01. </p> <p>2. try the 2m temperature blending methods <optional><br> 2.1 unzip the [CMA.zip, ECMWF.zip, jp.zip, NCEP.zip, obs_t2m.zip] file into ./raw_data/<br> 2.2 run the Station_FCST_MMWB.py in python environment </p> <p>3. try the 24h QPF multi blending methods <optional><br> 3.1 unzip the [raw_data_r24.zip] file into ./raw_data_r24/<br> 3.2 run the Station_FCST_MMWB_r24.py in python environment</p> <p>4. draw figures<br> 4.1 run Fig01.py in python environment <br> 4.2 run Fig02.py in python environment <br> 4.3 run Fig03.py in python environment <br> 4.4 run FigA01.py in python environment <br> 4.5 run FigS01.py in python environment </p>
Data for Theory, Observations, and Simulations of Kinetic Entropy in a Magnetotail Electron Diffusion Region
<p>This .rar file contains the simulation data used in the paper titled "Theory, Observations, and Simulations of Kinetic Entropy in a Magnetotail ElectronDiffusion Region" along with needed instructions for reproducing the simulation plots shown in the paper. </p>
Data from: Using metabolic theory to describe temperature and thermal acclimation effects on parasitic infection
<p>Predicting temperature effects on species interactions can be challenging, especially for parasitism where it is difficult to experimentally separate host and parasite thermal performance curves. Prior authors proposed a possible solution based on the metabolic theory of ecology (MTE), using MTE-based equations to describe the thermal mismatch between host and parasite performance curves and account for thermal acclimation responses. Here we use published infection data, supplemented with experiments measuring metabolic responses to temperature in each species, to show that this modeling framework can successfully describe thermal acclimation effects on two different stages of infection in a tadpole-trematode system. All thermal acclimation effects on host performance manifested as changes in one key model parameter (activation energy), with measurements of host respiration generating similar MTE parameter estimates and acclimation effects compared to measurements of the host's ability to clear encysted parasites. This result suggests that metabolic parameter estimates for whole-body metabolism can sometimes be used to estimate temperature effects on host and parasite performance curves. However, we found different thermal patterns for measurements of host prevention of initial parasite encystment emphasizing potential challenges when applying MTE-based models to complex parasite-host systems with multiple distinct stages of infection.</p>
Data files for "Hybrid quantum-classical approach for coupled-cluster Green's function theory"
<p>Source code and data files for the manuscript "Hybrid quantum-classical approach for coupled-cluster Green's function theory."</p> <p>Reference: Quantum 6, 675 (2022); https://doi.org/10.22331/q-2022-03-30-675.</p> <p>Title: Hybrid quantum-classical approach for coupled-cluster Green's function theory</p> <p>Authors: Trevor Keen, Bo Peng, Karol Kowalski, Pavel Lougovski, and Steven Johnston.</p> <p>Abstract: The three key elements of a quantum simulation are state preparation, time evolution, and measurement. While the complexity scaling of dynamics and measurements are well known, many state preparation methods are strongly system-dependent and require prior knowledge of the system’s eigenvalue spectrum. Here, we report on a quantum-classical implementation of the coupled-cluster Green’s function (CCGF) method, which replaces explicit ground state preparation with the task of applying unitary operators to a simple product state. While our approach is broadly applicable to a wide range of models, we demonstrate it here for the Anderson impurity model (AIM). The method requires a number of T gates that grow as $O(N^5)$ per time step to calculate the impurity Green’s function in the time domain, where N is the total number of energy levels in the AIM. For comparison, a classical CCGF calculation of the same order would require computational resources that grow as $O(N^6)$ per time step.</p>
Social Science Theories in Software Engineering Research - Replication Package
<p>Replication package for the article "Social Science Theories in Software Engineering Research".</p> <p>See README file for additional details.</p>
Empirical tests of habitat selection theory reveal that conspecific density and patch quality, but not habitat amount, drive long-distance immigration in a wild bird
<p>Individuals that disperse long distances from their natal site must select breeding patches with no prior knowledge of patch suitability. Despite decades of theoretical studies examining which cues dispersing individuals should use to select breeding patches, few empirical studies have tested the predictions of these theories at spatial scales relevant to long-distance dispersal in wild animal populations. Here, we use a novel assignment model based on multiple intrinsic markers to quantify natal dispersal distances of Wood Thrush (<i>Hylocichla mustelina</i>) breeding in forest fragments. We show that long-distance natal dispersal in this species is more frequent than commonly assumed for songbirds and that habitat selection by these individuals is driven by density-dependence and patch quality but not the amount of habitat surrounding breeding patches. These results represent an important contribution to understanding habitat selection by dispersing individuals, especially with regards to long-distance dispersal.</p>
Dataset: Theory of defect-mediated morphogenesis
<p>This archive contains the experimental and numerical data produced and analyzed for the article "Theory of defect-mediated morphogenesis". The archive is divded in two main folders:<br> - Experimental_Data<br> - Simulation_Data<br> <br> The folder "Experimental_Data" contains the row microscopy pictures of the domes taken in MDCK cells experiments a partially shown in Fig. 1(D) of the main text and in the Supplementary Informations. Each gif file shows two superimposed channels, namely E-cadherin (green) and Nucleus (blue). The stack outside the sample and move towards the monolayer. The plane-to-plane distance is 0.172 um and one pixel corresponds to 0.3451 um.</p> <p>The folder "Simulation_Data" contains the configurations and the raw data produced by means of numerical simulations.<br> The content is divided in subfolders and classified according to the Figure and panels where the data are shown. Simulation parameters are reported in the main text and in the Supplementary Information of the paper "Theory of defect-mediated morphogenesis".</p> <p>Simulation configurations are saved as vtm files. Each vtm file contains the values at each grid points of the polarization (Px,Py,Pz) and velocity field (ux,uy,uz) as well as the concentration field (phi). Vtm files can be visualized through the open-source visualization software Paraview. In folder Simulation_Data/Fig_2_panel_H the time series of the L2 distance of the measured profile with respect to the flat interface are found. The files is organized as follows: 1st column shows the time (iteration) at which the measurement is performed, 2nd column shows the L2 distance.</p>
ATITPhysics 2021 - Conformal Symmetry in Field Theories
<p>These lecture series are given in ATITPhysics 2021 Summer School, and are tailored for entry-level graduate students who have not taken any quantum field theory course.</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.