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Zum HZDR Publikations- und Forschungsdaten-Repositorium

Pre-prints

  • 2023

    T. Dornheim, D. C. Wicaksono, J. E. Suarez-Cardona, P. Tolias, M. Böhme, Z. Moldabekov, M. Hecht, J. Vorberger, Extraction of the frequency moments of spectral densities from imaginary-time correlation function data. arXiv

    R. Li, M. Kudryashev, A. Yakimovich, A weak-labelling and deep learning approach for infocus object segmentation in 3D widefield microscopy. ResearchSquare

    M. Eingorn, B. O’Briant, A. Diouf, A. Zhuk, Backreaction in cosmic screening approach. arXiv

    R. Tripathi, A. Reza, G. Su, A. Mertel, J. M. Calabrese, A network based approach to identifying correlations between phylogeny, morphological traits and occurrence information of fish Species in US river basins. bioRxiv

    J. E. Suarez-Cardona, P. A. Hofmann, M. Hecht, Learning Partial Differential Equations by Spectral Approximates of General Sobolev Spaces. arXiv

    M. Davoodi, A. Batista, A. Senapati, J. M. Calabrese, Personnel Scheduling and Testing Strategy during Pandemics: The case of COVID-19. arXiv

    R. Martinez-Garcia, J. M. Calabrese, C. H. Fleming, et al., The search behavior of terrestrial mammals. bioRxiv

  • 2022

    J. E. Suarez-Cardona, M. Hecht, Replacing Automatic Differentiation by Sobolev Cubatures fastens Physics Informed Neural Nets and strengthens their Approximation Power. arXiv

    S. K. Thekke Veettil, Y. Zheng, U. Hernandez Acosta, D. Wicaksono, M. Hecht, Multivariate Polynomial Regression of Euclidean Degree Extends the Stability for Fast Approximations of Trefethen Functions. arXiv

    S. Thekke Veettil, G. Zavalani, U. Hernandez Acosta, I. F. Sbalzarini, M. Hecht, Global Polynomial Level Sets for Numerical Differential Geometry of Smooth Closed Surfaces, in review, arXiv

    T. Dornheim, M. Böhme, D. Chapman, D. Kraus, T. R. Preston, Z. Moldabekov, N. Schlünzen, A. Cangi, T. Döppner, J. Vorberger, Temperature analysis of X-ray Thomson scattering data. arXiv

    T. Dornheim, Z. Moldabekov, K. Ramakrishna, P. Tolias, A. D. Baczewski, D. Kraus, T. R. Preston, D. A. Chapman, M. Böhme, T. Döppner, F. Graziani, M. Bonitz, A. Cangi, J. Vorberger, Electronic Density Response of Warm Dense Matter. arXiv

    S. Darapu, S. Ghosh, A. Senapati, C. Hens, S. Nannuru, Identifying influential pandemic regions using graph signal variation. arXiv

    L. Hyman, I. F. Sbalzarini, S. Quake, U. Günther, Corvo: Visualizing CellxGene Single-Cell Datasets in Virtual Reality. arXiv

    Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel. arXiv

    A. C. Batista German, A. Senapati, M. Davoodi, J. M. Calabrese, Personnel Staffing and Scheduling During Disease Outbreaks: A Contact Network-Based Analysis. SSRN

    Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons. arXiv

    P. Svensson, T. Campbell, F. Graziani, Z. Moldabekov, N. Lyu, S. Richardson, S. M. Vinko, G. Gregori, Development of a new quantum trajectory molecular dynamics framework. arXiv

    A. Senapati, A. Mertel, W. Schlechte-Welnicz, J. M. Calabrese, Estimating cross-border mobility from the difference in peak-timing: A case study in Poland-Germany border regions. arXiv

    J. Demers, W. F. Fagan, S. Potluri, J. M. Calabrese, The relationship between controllability, optimal testing resource allocation, and incubation-latent period mismatch as revealed by COVID-19. arXiv

    T. Dornheim, J. Vorberger, Z. Moldabekov, M. Böhme, Analyzing X-ray Thomson scattering experiments of warm dense matter in the imaginary-time domain: theoretical models and simulations. arXiv

    L. Fiedler, N. A. Modine, S. Schmerler, D. J. Vogel, G. A. Popoola, A. P. Thompson, S. Rajamanickam, A. Cangi, Predicting the Electronic Structure of Matter on Ultra-Large Scales. arXiv

    K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi, Electrical and Thermal Conductivity of High-Pressure Solid Iron. arXiv

    K. Shah, P. Stiller, N. Hoffmann, A. Cangi, Physics-Informed Neural Networks as Solvers for the Time-Dependent Schrödinger Equation. arXiv

    S. Bhattacharyya, S. De, L. Mrsic, I. Pan, K. Muhammad, A. Mukherjee, D. Konar, A Quantitative Assessment of Rubrics Using a Soft Computing Approach. Preprints

    J. M. Alston, I. Silva, J. M. Calabrese, et al. Clarifying space use concepts in ecology: range vs. occurrence distributions. bioRxiv

    W. Elwasif, S. Bastrakov, S. H. Bryngelson, M. Bussmann, S. Chandrasekaran, J. Stephan, et al. Early Application Experiences on a Modern GPU-Accelerated Arm-based HPC Platform. arXiv

    T. Dornheim, Z. A. Moldabekov, P. Tolias, M. Böhme, J. Vorberger, Physical insights from imaginary-time density–density correlation functions. arXiv

    Z. A. Moldabekov, M. Böhme, J. Vorberger, D. Blaschke, T. Dornheim, Ab initio Computation of the Static Exchange–Correlation Kernel of Real Materials: From Ambient Conditions to Warm Dense Matter. arXiv

    W. Abdussalam, A. Mertel, K. Fan, L. Schüler, W. Schlechte-Wełnicz, J. M. Calabrese, A scalable pipeline for COVID-19: the case study of Germany, Czechia and Poland. arXiv

    M. Böhme, Z. A. Moldabekov, J. Vorberger, T. Dornheim, Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions. arXiv

    A. Gupta, P. Incardona, P. Hunt, G. Reina, S. Frey, S. Gumhold, U. Günther, I. F. Sbalzarini, Content-adaptive generation and parallel compositing of volumetric depth images for responsive visualization of large volume data. arXiv

    T. Dornheim, M. Böhme, D. Kraus, T. Döppner, T. Preston, Z. Moldabekov, J. Vorberger, Accurate Temperature Diagnostics for Matter under Extreme Conditions. arXiv

    A. Gupta, U. Günther, P. Incardona, G. Reina, S. Frey, S. Gumhold, I. F. Sbalzarini, Efficient Raycasting of View-Dependent Piecewise Constant Representations of Volumetric Data. arXiv

    L. Fiedler, Z. A. Moldabekov, X. Shao, K. Jiang, T. Dornheim, M. Pavanello, A. Cangi, Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory. arXiv

    T. Callow, D. Kotik, E. Kraisler, A. Cangi, AtoMEC: an open-source average-atom Python code. arXiv

    M. Schörner, B. B. L. Witte, A. D. Baczewski, A. Cangi, R. Redmer, An \textit{ab initio} study of shock-compressed copper. arXiv

    T. Dornheim, J. Vorberger, Z. Moldabekov, P. Tolias, Spin-resolved density response of the warm dense electron gas. arXiv

    T. Dornheim, P. Tolias, Z. Moldabekov, A. Cangi, J. Vorberger, Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations. arXiv

    D. R. Vemula, D. Konar, S. Satheesan, S. M. Kalidasu, A. Cangi, A Scalable 5,6-Qubit Grover’s Quantum Search Algorithm. arXiv

    J. M. Alston, C. H. Fleming,  R. Kays,  J. P. Streicher,  C. T. Downs,  T. Ramesh,  J. M. Calabrese, Mitigating pseudoreplication and bias in resource selection functions with autocorrelation-informed weighting. bioRxiv

    M. Davoodi, A. Batista, A. Senapati, W. Schlechte-Welnicz, B. Wagner, J. M. Calabrese, Modeling COVID-19 optimal testing strategies in long-term care facilities: An optimization-based approach. arXiv

    M. Davoodi, A. Senapati, A. Mertel, W. Schlechte-Welnicz, J. M. Calabrese, Optimal Workplace Occupancy Strategies during the COVID-19 Pandemic. arXiv

    T. Dornheim, Z. Moldabekov, J. Vorberger, H. Kählert, M. Bonitz, Electronic pair alignment and roton feature in the warm dense electron gas. arXiv

    K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi, Electrical Conductivity of Iron in Earth’s Core from Microscopic Ohm’s Law. arXiv

    T. Callow, E. Kraisler, A. Cangi, Accurate and efficient computation of mean ionization states with an average-atom Kubo-Greenwood approach. arXiv

    G. Su, A. Mertel, S. Brosse, J. M. Calabrese, Species invasiveness and community invasibility of US freshwater fish fauna revealed via trait-based analysis. bioRxiv

    M. Böhme, Z. Moldabekov, J. Vorberger, T. Dornheim, Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations. arXiv

    D. Konar, E. Gelenbe, S. Bhandary, A. Das Sarma, A. Cangi, Random Quantum Neural Networks (RQNN) for Noisy Image Recognition. arXiv

    A. Mertel, J. Vyskočil, L. Schüler, W. Schlechte-Wełnicz, J. M. Calabrese, Fine-scale variation in the effect of national border on COVID-19 spread: A case study of the Saxon-Czech border region. medRxiv

    T. Dornheim, J. Vorberger, Z. Moldabekov, G. Röpke, W. Kraeft, The uniform electron gas at high temperatures: \emph{ab initio} path integral Monte Carlo simulations and analytical theory. arXiv

    Z. Moldabekov, J. Vorberger, T. Dornheim, Density-Functional-Theory Perspective on the Non-Linear Response of Correlated Electrons Across Temperature Regimes. arXiv

    T. Dornheim, Abnormal superfluid fraction and structural properties of electrons in 2D and 3D quantum dots: an ab initio path-integral Monte Carlo study. arXiv

  • 2021

    T. Dornheim, J. Vorberger, Z. A. Moldabekov, M. Bonitz, Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling. arXiv

    S. Müller, L. Schüler, A. Zech, F. Heße, GSTools v1.3: A toolbox for geostatistical modelling in Python. gmd

    M. Roy, A. Senapati, S. Poria, A. Mishra, C. Hens, Role of assortativity in predicting burst synchronization using echo state network. arXiv

    I. Silva, J. M. Calabrese, Emerging opportunities for wildlife with sustainable autonomous transportation. EcoEvoRxiv

    A.I. Titov, U. Hernandez Acosta, B. Kampfer, Positron energy distribution in factorized trident process. arXiv

    Y. Montano, B. M. Marshall, M. Ward, I. Silva, T. Artchawakom, S. Waengsothorn, C. Strine, A stable home: Autocorrelated Kernel Density Estimated home ranges of the critically endangered Elongated Tortoise. OSF

    J. M. Alston, D. A. Keinath, C. K. R. Willis, C.L. Lausen, J. M. O’Keefe, J. D. Tyburec, H. G. Broders, P. R. Moosman, T. C. Carter, C. L. Chambers, E. H. Gillam, K. Geluso, T. J. Weller, D. W. Burles, Q. E. Fletcher, K. J. O. Norquay, J. R. Goheen, Environmental drivers of body size in North American bats. arXiv

    F. Pöschel, J. E, W. F. Godoy, N. Podhorszki, S. Klasky, G. Eisenhauer, P. E. Davis, L. Wan, A. Gainaru, J. Gu, F. Koller, R. Widera, M. Bussmann, A. Huebl, Transitioning from file-based HPC workflows to streaming data pipelines with openPMD and ADIOS2. arXiv

    N. Kumar, P. Hanfeld, M. Hecht, M. Bussmann, S. Gumhold, N. Hoffmannn, InFlow: Robust outlier detection utilizing Normalizing Flows. arXiv

    B. M. Gruber, G. Amadio, J. Blomer, A. Matthes, R. Widera, M. Bussmann, LLAMA: The Low Level Abstraction For Memory Access. arXiv

    Z. Moldabekov, T. Dornheim, G. Gregori, F. Graziani, M. Bonitz, A. Cangi, The Quantum Bohm Potential for Many-Fermion Systems. arXiv

    J. L. Brunner, J. M. Calabrese, Modelling the probability of detecting mass mortality events. bioRxiv

    R. Martinez-Garcia, C. Cabal, J. A. Bonachela, J. M. Calabrese, E. Hernández-García, C. López, C. E. Tarnita: Spatial self-organization of vegetation in water-limited systems: mechanistic causes, empirical tests, and ecosystem-level consequences. arXiv

    Z. Moldabekov, T. Dornheim, M. Bonitz: Screening of a test charge in a free-electron gas at warm dense matter and dense non-ideal plasma conditions. arXiv

    C. H. Fleming, J. Drescher-Lehman, M. J. Noonan, T. S. B. Akre, D. J. Brown, M. M. Cochrane, N. Dejid, V. DeNicola, C. S. DePerno, J. N. Dunlop, N. P. Gould, J. Hollins, H. Ishii, Y. Kaneko, R. Kays, S. S. Killen, B. Koeck, S. A. Lambertucci, S. D. LaPoint, E. P. Medici, B.-U. Meyburg, T. A. Miller, R. A. Moen, T. Mueller, T. Pfeiffer, K. N. Pike, A. Roulin, K. Safi, R. Séchaud, A. K. Scharf, J. M. Shephard, J. A. Stabach, K. Stein, C. M. Tonra, K. Yamazaki, W. F. Fagan, J. M. Calabrese: A comprehensive framework for handling location error in animal tracking data. DOI: 10.1101/2020.06.12.130195 / bioRxiv