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Complete list of NIC project publications from 2018 to 2021

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Microstructure formation of metallic nanoglasses: Insights from molecular dynamics simulations
Acta materialia 145, 322 - 330 () [10.1016/j.actamat.2017.12.014] BibTeX | EndNote: XML, Text | RIS

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Design of Metal-Organic Framework Templated Materials Using High-Throughput Computational Screening
Molecules 25(21), 4875 - () [10.3390/molecules25214875] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity
Journal of chemical information and modeling 61(11), 5626–5643 () [10.1021/acs.jcim.1c00973] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Investigation of the Oxidation Behavior of Graphene/Ge(001) Versus Graphene/Ge(110) Systems
ACS applied materials & interfaces 12(2), 3188 - 3197 () [10.1021/acsami.9b18448] BibTeX | EndNote: XML, Text | RIS

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Microscopic field-theoretical approach for mixtures of active and passive particles
Physical review / E covering statistical, nonlinear, biological, and soft matter physics 98(3), 032605 () [10.1103/PhysRevE.98.032605] BibTeX | EndNote: XML, Text | RIS

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A Phase Field Approach to Trabecular Bone Remodeling
Frontiers in applied mathematics and statistics 6, 12 () [10.3389/fams.2020.00012] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Reduced-order analysis of the acoustic near field of a ducted axial fan
The international journal of heat and fluid flow 85, 108657 () [10.1016/j.ijheatfluidflow.2020.108657] BibTeX | EndNote: XML, Text | RIS

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Competition Between Kinetics and Thermodynamics During the Growth of Faceted Crystal by Phase Field Modeling
Physica status solidi / B 256(7), 1800518 - () [10.1002/pssb.201800518] BibTeX | EndNote: XML, Text | RIS

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Actively Reduced Airfoil Drag by Transversal Surface Waves
Applied scientific research / B Section B, Electrophysics, acoustics, optics, mathematical methods 102(4), 865 - 886 () [10.1007/s10494-018-9998-z] BibTeX | EndNote: XML, Text | RIS

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Drag Reduction and Energy Saving by Spanwise Traveling Transversal Surface Waves for Flat Plate Flow
Flow, turbulence and combustion 105(1), 125 - 157 () [10.1007/s10494-020-00110-8] BibTeX | EndNote: XML, Text | RIS

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Pion vector form factor from lattice QCD at the physical point
Physical review / D 97(1), 014508 () [10.1103/PhysRevD.97.014508] BibTeX | EndNote: XML, Text | RIS

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Moments of nucleon generalized parton distributions from lattice QCD simulations at physical pion mass
Physical review / D 101(3), 034519 () [10.1103/PhysRevD.101.034519] BibTeX | EndNote: XML, Text | RIS

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Simulating twisted mass fermions at physical light, strange, and charm quark masses
Physical review / D 98(5), 054518 () [10.1103/PhysRevD.98.054518] BibTeX | EndNote: XML, Text | RIS

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Investigation of Theories beyond the Standard Model
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 195 - 203 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The light bound states of $\mathcal{N}=1$ supersymmetric SU(3) Yang-Mills theory on the lattice
Journal of high energy physics 2018(3), 113 () [10.1007/JHEP03(2018)113] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Analysis of Ward identities in supersymmetric Yang–Mills theory
The European physical journal / C 78(5), 404 () [10.1140/epjc/s10052-018-5887-9] BibTeX | EndNote: XML, Text | RIS

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Numerical Results for the Lightest Bound States in N = 1 Supersymmetric SU(3) Yang-Mills Theory
Physical review letters 122(22), 221601 () [10.1103/PhysRevLett.122.221601] BibTeX | EndNote: XML, Text | RIS

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Variational analysis of low-lying states in supersymmetric Yang-Mills theory
Journal of high energy physics 2019(4), 150 () [10.1007/JHEP04(2019)150] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Temperature gradient driven heat flux closure in fluid simulations of collisionless reconnection
Journal of plasma physics 84(3), 905840307 () [10.1017/S002237781800048X] BibTeX | EndNote: XML, Text | RIS

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Fluid simulations of three-dimensional reconnection that capture the lower-hybrid drift instability
Journal of plasma physics 87(1), 905870115 () [10.1017/S0022377820001683] BibTeX | EndNote: XML, Text | RIS

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Beyond Scaling Relations for the Description of Catalytic Materials
ACS catalysis 2752 - 2759 () [10.1021/acscatal.8b04478] BibTeX | EndNote: XML, Text | RIS

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Ab Initio Thermodynamics of Hydrocarbons Relevant to Graphene Growth at Solid and Liquid Cu Surfaces
The journal of physical chemistry <Washington, DC> / C 123(36), 22299 - 22310 () [10.1021/acs.jpcc.9b05642] BibTeX | EndNote: XML, Text | RIS

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Scale Dependence of Atmosphere–Surface Coupling Through Similarity Theory
Boundary layer meteorology 170(1), 1 - 27 () [10.1007/s10546-018-0386-y] BibTeX | EndNote: XML, Text | RIS

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Supermassive black holes coalescence mediated by massive perturbers: implications for gravitational waves emission and nuclear cluster formation
Monthly notices of the Royal Astronomical Society 484(1), 520 - 542 () [10.1093/mnras/sty3458] BibTeX | EndNote: XML, Text | RIS

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Atomistic and Coarse-Grained Modeling of the Adsorption of Graphene Nanoflakes at the Oil–Water Interface
The journal of physical chemistry <Washington, DC> / B 122(8), 2396 - 2407 () [10.1021/acs.jpcb.7b11173] BibTeX | EndNote: XML, Text | RIS

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Valley-contrasting optics of interlayer excitons in Mo- and W-based bulk transition metal dichalcogenides
Nanoscale 10(33), 15571 - 15577 () [10.1039/C8NR03764G] BibTeX | EndNote: XML, Text | RIS

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Numerical Simulations of Strongly Correlated Electron Systems
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 265 - 273 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Bottlebrush Block Copolymer Assembly in Ultraconfined Films: Effect of Substrate Selectivity
Macromolecules 54(5), 2079 - 2089 () [10.1021/acs.macromol.0c02057] BibTeX | EndNote: XML, Text | RIS

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Loop 1 of APOBEC3C regulates its antiviral activity against HIV-1
Journal of molecular biology 432(23), 6200-6227 () [10.1016/j.jmb.2020.10.014] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nuclear quantum effects induce metallization of dense solid molecular hydrogen
Journal of computational chemistry 39(5), 262 - 268 () [10.1002/jcc.25104] BibTeX | EndNote: XML, Text | RIS

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Magnetically induced/enhanced coarsening in thin films
Physical review materials 4(2), 023404 () [10.1103/PhysRevMaterials.4.023404] BibTeX | EndNote: XML, Text | RIS

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Convexity splitting in a phase field model for surface diffusion
International journal of numerical analysis and modeling 16, 192-209 () BibTeX | EndNote: XML, Text | RIS

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Computational Study of the Interaction of Pristine and Defective Carbon Nanotubes with Organic Molecules
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 263-268 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Tuning Intermolecular Interaction Between Lignin and Carbon Nanotubes in Fiber Composites – A Combined Experimental and Ab-Initio Modeling Study
Journal of renewable materials () [10.7569/JRM.2017.634183] BibTeX | EndNote: XML, Text | RIS

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Light-cone distribution amplitudes of octet baryons from lattice QCD
Zeitschrift für Physik <Berlin> / A Hadrons and nuclei A 55(7), 116 () [10.1140/epja/i2019-12803-6] BibTeX | EndNote: XML, Text | RIS

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Flavour Structure of the Baryon Octet
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 175 - 184 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nucleon axial structure from lattice QCD
Journal of high energy physics 2020(5), 126 () [10.1007/JHEP05(2020)126] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Light-cone distribution amplitudes of pseudoscalar mesons from lattice QCD
Journal of high energy physics 2019(8), 65 () [10.1007/JHEP08(2019)065] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Masses and decay constants of the η and η′ mesons from lattice QCD
Journal of high energy physics 2021(8), 137 () [10.1007/JHEP08(2021)137] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Addendum to: Light-cone distribution amplitudes of pseudoscalar mesons from lattice QCD
Journal of high energy physics 2020(11), 37 () [10.1007/JHEP11(2020)037] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Turbulent magnetohydrodynamic flow in a square duct: Comparison of zero and finite magnetic Reynolds number cases
Physical review fluids 3(8), 083701 () [10.1103/PhysRevFluids.3.083701] BibTeX | EndNote: XML, Text | RIS

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Shock waves in the magnetized cosmic web: the role of obliquity and cosmic ray acceleration
Monthly notices of the Royal Astronomical Society 496(3), 3648 - 3667 () [10.1093/mnras/staa1810] BibTeX | EndNote: XML, Text | RIS

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Targeting spectrin redox switches to regulate the mechanoproperties of red blood cells
Biological chemistry 402(3), 317–331 () [10.1515/hsz-2020-0293] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Comprehensive Distributed Hydrological Modeling Intercomparison to Support Process Representation and Data Collection Strategies
Water resources research 55(2), 990 - 1010 () [10.1029/2018WR023941] BibTeX | EndNote: XML, Text | RIS

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Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se$_2$ thin-film photovoltaic absorbers
Journal of applied physics 123(16), 165705 - () [10.1063/1.5026483] BibTeX | EndNote: XML, Text | RIS

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Machine Learning Transport Properties in Quantum Many-Fermion Simulations
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 85 - 92 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Hierarchy of energy scales in an O(3) symmetric antiferromagnetic quantum critical metal: A Monte Carlo study
Physical review research 2(2), 023008 () [10.1103/PhysRevResearch.2.023008] BibTeX | EndNote: XML, Text | RIS

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Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)$_x$Cl$_y$]$_n$ species in water gas shift catalysis
Catalysis science & technology 8(1), 344 - 357 () [10.1039/C7CY02199B] BibTeX | EndNote: XML, Text | RIS

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Structure and binding in halide perovskites: Analysis of static and dynamic effects from dispersion-corrected density functional theory
APL materials 7(2), 021108 - () [10.1063/1.5086541] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Structures and Phases in (Nano-) Systems in Confined Geometry
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 75 - 83 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism
Journal of chemical information and modeling 61(8), 4023–4030 () [10.1021/acs.jcim.1c00558] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Off-diagonal correlators of conserved charges from lattice QCD and how to relate them to experiment
Physical review / D 101(3), 034506 () [10.1103/PhysRevD.101.034506] BibTeX | EndNote: XML, Text | RIS

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Conformational Analysis of Dual-Scale Simulations of Ubiquitin Chains
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 137 - 146 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Simulating and analysing configurational landscapes of protein–protein contact formation
Interface focus 9(3), 20180062 - () [10.1098/rsfs.2018.0062] BibTeX | EndNote: XML, Text | RIS

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Machine Learning Driven Analysis of Large Scale Simulations Reveals Conformational Characteristics of Ubiquitin Chains
Journal of chemical theory and computation 16(5), 3205 - 3220 () [10.1021/acs.jctc.0c00045] BibTeX | EndNote: XML, Text | RIS

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Large-Eddy Simulation Study of Biofuel Injection in an Optical Direct Injection Engine
SAE Powertrains, Fuels & Lubricants Meeting, Meeting location, Tokyo : Springer814959 () [10.4271/2020-01-2121] BibTeX | EndNote: XML, Text | RIS

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Massively Parallel Large-Scale Multi-Model Simulation of Tumour Development Including Treatments
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 63 - 71 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cells in Silico – introducing a high-performance framework for large-scale tissue modeling
BMC bioinformatics 21(1), 436 () [10.1186/s12859-020-03728-7] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Adiabatic continuity and confinement in supersymmetric Yang-Mills theory on the lattice
Journal of high energy physics 2018(11), 92 () [10.1007/JHEP11(2018)092] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Context aware benchmarking and tuning of a TByte-scale air quality database and web service
Earth science informatics 14, 1597-1607 () [10.1007/s12145-021-00631-4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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AQ-Bench: a benchmark dataset for machine learning on global air quality metrics
Earth system science data 13(6), 3013 - 3033 () [10.5194/essd-13-3013-2021] special issue: "Benchmark datasets and machine learning algorithms for Earth system science data (ESSD/GMD inter-journal SI)" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Targeting HSP90 dimerization via the C-terminus is effective in imatinib resistant CML and lacks heat shock response
Blood 132(3), 307-320 () [10.1182/blood-2017-10-810986] BibTeX | EndNote: XML, Text | RIS

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C-terminal Modulators of Heat Shock Protein of 90 kDa (HSP90): State of Development and Modes of Action
Bioorganic & medicinal chemistry 27(21), 115080 () [10.1016/j.bmc.2019.115080] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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NIC Symposium 2018
NIC Symposium, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, NIC Series 49, VI, 448 S. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Few-nucleon and many-nucleon systems with semilocal coordinate-space regularized chiral nucleon-nucleon forces
Physical review / C covering nuclear physics 98(1), 014002 () [10.1103/PhysRevC.98.014002] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization
Acta crystallographica / F Structural biology communications Section F F75(4), 270 - 277 () [10.1107/S2053230X19002152] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Improving the representation of cropland sites in the Community Land Model (CLM) version 5.0
Geoscientific model development 14(1), 573 - 601 () [10.5194/gmd-14-573-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Sub-Grid Scale Modelling at Scale with Deep Learning and up to 60 Billion Degrees of Freedom
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 379 - 388 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Applications of Seismic Full-Waveform Inversion on Shallow-Seismic and Ultrasonic Data
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 321 - 329 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis
Scientific reports 10(1), 5795 () [10.1038/s41598-020-62326-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Liver cell hydration and integrin signaling
Biological chemistry 402(9), 1033-1045 () [10.1515/hsz-2021-0193] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Hadronic Vacuum Polarization Contribution to the Anomalous Magnetic Moments of Leptons from First Principles
Physical review letters 121(2), 022002 () [10.1103/PhysRevLett.121.022002] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Leading hadronic contribution to the muon magnetic moment from lattice QCD
Nature <London> 593(7857), 51–55 () [10.1038/s41586-021-03418-1] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Towards the equation of state at finite density from the lattice
Nuclear physics <Amsterdam> / A 982, 223 - 226 () [10.1016/j.nuclphysa.2018.12.016] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Higher order fluctuations and correlations of conserved charges from lattice QCD
Journal of high energy physics 2018(10), 205 () [10.1007/JHEP10(2018)205] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Higher Order Fluctuations and Correlations of Conserved Charges from Lattice QCD
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 207 - 216 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Pcdh18a regulates endocytosis of E-cadherin during axial mesoderm development in zebrafish
Histochemistry and cell biology 154, 463–480 () [10.1007/s00418-020-01887-5] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Beautiful Mess in Abell 2255
The astrophysical journal / 1 897(1), 93 () [10.3847/1538-4357/ab9a2f] BibTeX | EndNote: XML, Text | RIS

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Elucidating Aggregation Pathways in the Donor–Acceptor Type Molecules p-DTS(FBTTh$_2$)$_2$ and p-SIDT(FBTTh$_2$)$_2$
The journal of physical chemistry <Washington, DC> / B 122(39), 9191 - 9201 () [10.1021/acs.jpcb.8b06283] BibTeX | EndNote: XML, Text | RIS

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Posttranslational modification of the NADP-malic enzyme involved in C4 photosynthesis fine-tunes the enzymatic activity during the day
The plant cell 31(10), 2525-2539 () [10.1105/tpc.19.00406] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Investigating the Scale Adaptivity of a Size-Filtered Mass Flux Parameterization in the Gray Zone of Shallow Cumulus Convection
Journal of the atmospheric sciences 75(4), 1195 - 1214 () [10.1175/JAS-D-17-0231.1] BibTeX | EndNote: XML, Text | RIS

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Numerical and High Performance Computing Methods for Multiscale Computational Neuroscience
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 137 - 144 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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What Is Required for Neuronal Calcium Waves? A Numerical Parameter Study
Journal of mathematical neuroscience 8(1), 9 () [10.1186/s13408-018-0064-x] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Spine-to-Dendrite Calcium Modeling Discloses Relevance for Precise Positioning of Ryanodine Receptor-Containing Spine Endoplasmic Reticulum
Scientific reports 8(1), 15624 () [10.1038/s41598-018-33343-9] DBCoverage BibTeX | EndNote: XML, Text | RIS

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BEAM-ME: Accelerating Linear Energy Systems Models by a Massively Parallel Interior Point Method
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 345 - 352 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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An Improved Model of the Earth’s Static Gravity Field Solely Derived from Reprocessed GOCE Data
Surveys in geophysics 42(2), 277 - 316 () [10.1007/s10712-020-09626-0] BibTeX | EndNote: XML, Text | RIS

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Cold Blobs in Hot Winds
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
91 - 98 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Temperature and loading rate dependent rupture forces from universal paths in mechanochemistry
Physical review materials 2(11), 113603 () [10.1103/PhysRevMaterials.2.113603] BibTeX | EndNote: XML, Text | RIS

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Extreme velocity gradients in turbulent flows
New journal of physics 21(4), 043004 - () [10.1088/1367-2630/ab0756] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Turbulence is an Ineffective Mixer when Schmidt Numbers Are Large
Physical review letters 126(7), 074501 () [10.1103/PhysRevLett.126.074501] BibTeX | EndNote: XML, Text | RIS

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Small-Scale Isotropy and Ramp-Cliff Structures in Scalar Turbulence
Physical review letters 126(3), 034504 () [10.1103/PhysRevLett.126.034504] BibTeX | EndNote: XML, Text | RIS

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Self-attenuation of extreme events in Navier–Stokes turbulence
Nature Communications 11(1), 5852 () [10.1038/s41467-020-19530-1] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Vortex stretching and enstrophy production in high Reynolds number turbulence
Physical review fluids 5(10), 104602 () [10.1103/PhysRevFluids.5.104602] BibTeX | EndNote: XML, Text | RIS

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Dissipation range of the energy spectrum in high Reynolds number turbulence
Physical review fluids 5(9), 092601 () [10.1103/PhysRevFluids.5.092601] BibTeX | EndNote: XML, Text | RIS

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Confined electron and hole states in semiconducting carbon nanotube sub-10 nm artificial quantum dots
Carbon 132, 304 - 311 () [10.1016/j.carbon.2018.02.031] BibTeX | EndNote: XML, Text | RIS

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White dwarf deflagrations for Type Iax supernovae: polarisation signatures from the explosion and companion interaction
Astronomy and astrophysics 635, A179 - () [10.1051/0004-6361/201937245] BibTeX | EndNote: XML, Text | RIS

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Unitary Long-Time Evolution with Quantum Renormalization Groups and Artificial Neural Networks
Physical review letters 127(5), 050601 () [10.1103/PhysRevLett.127.050601] BibTeX | EndNote: XML, Text | RIS

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Scalable Algorithms for Adaptive Mesh Refinement: Extension to General Element Types and Application to Fluid Dynamics
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 361 - 368 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Frequency modulated free electron laser
Optics express 27(6), 8792 - () [10.1364/OE.27.008792] DBCoverage BibTeX | EndNote: XML, Text | RIS

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The LOFAR view of FR 0 radio galaxies
Astronomy and astrophysics 642, A107 - () [10.1051/0004-6361/202038671] BibTeX | EndNote: XML, Text | RIS

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Numerical Study of Rotor–Stator Interaction of a Centrifugal Pump at Part Load With Special Emphasis on Unsteady Blade Load
Journal of fluids engineering 142(8), 081203 () [10.1115/1.4046622] BibTeX | EndNote: XML, Text | RIS

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Assessment of statistical eddy-viscosity turbulence models for unsteady flow at part and overload operation of centrifugal pumps
: [Proceedings] - , 2019. - ISBN - doi:10.29008/ETC2019-047
European Conference on Turbomachinery Fluid Dynamics and Thermodynamics, LausanneLausanne, Switzerland, 8 Apr 2019 - 12 Apr 20192019-04-082019-04-12
[10.29008/ETC2019-047] BibTeX | EndNote: XML, Text | RIS

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The effect of polydispersity, shape fluctuations and curvature on small unilamellar vesicle small-angle X-ray scattering curves
Journal of applied crystallography 54(2), 557 - 568 () [10.1107/S1600576721001461] BibTeX | EndNote: XML, Text | RIS

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Impact of Lagrangian transport on lower-stratospheric transport timescales in a climate model
Atmospheric chemistry and physics 20(23), 15227 - 15245 () [10.5194/acp-20-15227-2020] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Amorphous nickel nanophases inducing ferromagnetism in equiatomic Ni Ti alloy
Acta materialia 161, 47 - 53 () [10.1016/j.actamat.2018.09.019] BibTeX | EndNote: XML, Text | RIS

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Charge-Density-Wave Transitions of Dirac Fermions Coupled to Phonons
Physical review letters 122(7), 077601 () [10.1103/PhysRevLett.122.077601] BibTeX | EndNote: XML, Text | RIS

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Impacts of the Assimilation of Satellite Sea Surface Temperature Data on Volume and Heat Budget Estimates for the North Sea
Journal of geophysical research / Oceans 126(5), () [10.1029/2020JC017059] BibTeX | EndNote: XML, Text | RIS

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Unconventional Hund metal in a weak itinerant ferromagnet
Nature Communications 11(1), 3076 () [10.1038/s41467-020-16868-4] DBCoverage BibTeX | EndNote: XML, Text | RIS

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A parameterization of the heterogeneous hydrolysis of N<sub>2</sub>O<sub>5</sub> for mass-based aerosol models: improvement of particulate nitrate prediction
Atmospheric chemistry and physics 18(2), 673 - 689 () [10.5194/acp-18-673-2018] DBCoverage BibTeX | EndNote: XML, Text | RIS

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On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion
Combustion and flame 226, 467 - 477 () [10.1016/j.combustflame.2020.12.038] BibTeX | EndNote: XML, Text | RIS

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First-principles many-body models for electron transport through molecular nanomagnets
Physical review / B 99(23), 235145 () [10.1103/PhysRevB.99.235145] BibTeX | EndNote: XML, Text | RIS

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Orbital Ordering of the Mobile and Localized Electrons at Oxygen-Deficient LaAlO$_3$/SrTiO$_3$ Interfaces
ACS nano acsnano.8b02335 () [10.1021/acsnano.8b02335] BibTeX | EndNote: XML, Text | RIS

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Interface between graphene and liquid Cu from molecular dynamics simulations
The journal of chemical physics 153(7), 074702 - () [10.1063/5.0020126] BibTeX | EndNote: XML, Text | RIS

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Modelling of Solar Wind Plasma Turbulence for Space Missions of ESA and NASA
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 107 - 114 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On heating of solar wind protons by the parametric decay of large-amplitude Alfvén waves
Annales geophysicae 36(6), 1647 - 1655 () [10.5194/angeo-36-1647-2018] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Multi-channel coupling of decay instability in three-dimensional low-beta plasma
Annales geophysicae 37(5), 835 - 842 () [10.5194/angeo-37-835-2019] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Can Constraint Network Analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase
Computational and structural biotechnology journal 19, 743-751 () [10.1016/j.csbj.2020.12.034] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Shell evolution of N = 40 isotones towards $^{60}$Ca: First spectroscopy of $^{62}$Ti
Physics letters / B 800, 135071 - () [10.1016/j.physletb.2019.135071] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Assembly of Multi‐Spheroid Cellular Architectures by Programmable Droplet Merging
Advanced materials 33(4), 2006434 - () [10.1002/adma.202006434] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Enzyme Hydration Determines Resistance in Organic Cosolvents
ACS catalysis 10(24), 14847 - 14856 () [10.1021/acscatal.0c03233] BibTeX | EndNote: XML, Text | RIS

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The Nature of the QCD Thermal Transition as a Function of Quark Flavours and Masses
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 43 - 50 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cut-Off Effects on the QCD Thermal Transition as a Function of Quark Masses and Chemical Potential
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 33 - 42 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Giant radio galaxies in the LOFAR Two-metre Sky Survey
Astronomy and astrophysics 635, A5 () [10.1051/0004-6361/201935589] BibTeX | EndNote: XML, Text | RIS

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Modelling of Materials for Silicon-Compatible Microelectronics
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 239 - 246 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation
Journal of enzyme inhibition and medicinal chemistry 36(1), 491 - 496 () [10.1080/14756366.2021.1876685] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Lux – A laser–plasma driven undulator beamline
Nuclear instruments & methods in physics research / A S0168900218301153 () [10.1016/j.nima.2018.01.082] BibTeX | EndNote: XML, Text | RIS

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Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory
Chemistry of materials 30(21), 7438 - 7445 () [10.1021/acs.chemmater.8b02410] BibTeX | EndNote: XML, Text | RIS

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Positron transport and acceleration in beam-driven plasma wakefield accelerators using plasma columns
Physical review accelerators and beams 22(8), 081301 () [10.1103/PhysRevAccelBeams.22.081301] DBCoverage BibTeX | EndNote: XML, Text | RIS

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High-quality positron acceleration in beam-driven plasma accelerators
Physical review accelerators and beams 23(12), 121301 () [10.1103/PhysRevAccelBeams.23.121301] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Topological susceptibility and $η ′$ meson mass from $N_f = 2$ lattice QCD at the physical point
Physical review / D 99(3), 034511 () [10.1103/PhysRevD.99.034511] BibTeX | EndNote: XML, Text | RIS

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Automated and optimally FRET-assisted structural modeling
Nature Communications 11(1), 5394 () [10.1038/s41467-020-19023-1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Converging a Knowledge-Based Scoring Function: DrugScore2018
Journal of chemical information and modeling 59(1), 509–521 () [10.1021/acs.jcim.8b00582] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cumulative Submillisecond All-Atom Simulations of the Temperature-Induced Coil-to-Globule Transition of Poly( N -vinylcaprolactam) in Aqueous Solution
Macromolecules 53(22), 9793–9810 () [10.1021/acs.macromol.0c01896] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Isovector electromagnetic form factors of the nucleon from lattice QCD and the proton radius puzzle
Physical review / D 103(9), 094522 () [10.1103/PhysRevD.103.094522] BibTeX | EndNote: XML, Text | RIS

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Morphology of radio relics – II. Properties of polarized emission
Monthly notices of the Royal Astronomical Society 507(2), 2714 - 2734 () [10.1093/mnras/stab2353] BibTeX | EndNote: XML, Text | RIS

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Morphology of radio relics – I. What causes the substructure of synchrotron emission?
Monthly notices of the Royal Astronomical Society 500(1), 795 - 816 () [10.1093/mnras/staa3018] BibTeX | EndNote: XML, Text | RIS

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Relevance of N-terminal residues for amyloid-β binding to platelet integrin α IIb β 3 , integrin outside-in signaling and amyloid-β fibril formation
Cellular signalling 50, 121 - 130 () [10.1016/j.cellsig.2018.06.015]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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On the Overwhelming Complexity of Mechanochemical Disulphide Bond Reduction in Alkaline Solution
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 165 - 174 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Semisynthetic Analogs of the Antibiotic Fidaxomicin—Design, Synthesis, and Biological Evaluation
ACS medicinal chemistry letters 11(12), 2414–2420 () [10.1021/acsmedchemlett.0c00381] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Realising the LOFAR Two-Metre Sky Survey
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 113 - 122 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nutrient exchange in arbuscular mycorrhizal symbiosis from a thermodynamic point of view
The new phytologist 222(2), 1043-1053 () [10.1111/nph.15646]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Electronic excitations in transition metal dichalcogenide monolayers from an LDA + GdW approach
Physical review / B covering condensed matter and materials physics 98(15), 155433 () [10.1103/PhysRevB.98.155433] BibTeX | EndNote: XML, Text | RIS

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Toward finite-rate chemistry large-eddy simulations of sooting swirl flames
Combustion science and technology 190(7), 1194 - 1217 () [10.1080/00102202.2018.1443444] BibTeX | EndNote: XML, Text | RIS

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Case study of a humidity layer above Arctic stratocumulus and potential turbulent coupling with the cloud top
Atmospheric chemistry and physics 21(8), 6347 - 6364 () [10.5194/acp-21-6347-2021] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water
Physical chemistry, chemical physics 23(27), 14845 - 14856 () [10.1039/D1CP01490K] BibTeX | EndNote: XML, Text | RIS

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Applying constrained simulations for low temperature lattice QCD at finite baryon chemical potential
Physical review / D 98(7), 074508 () [10.1103/PhysRevD.98.074508] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Resonances and Multi-Particle States in Lattice QCD
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 227 - 234 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Partial flux ordering and thermal Majorana metals in higher-order spin liquids
Physical review research 2(4), 043159 () [10.1103/PhysRevResearch.2.043159] BibTeX | EndNote: XML, Text | RIS

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Thermodynamic classification of three-dimensional Kitaev spin liquids
Physical review / B 102(7), 075125 () [10.1103/PhysRevB.102.075125] BibTeX | EndNote: XML, Text | RIS

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Numerical Investigation of Reacting Flows in Gas Turbine Model Combustors
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 397 - 404 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Signatures of long-range spin-spin interactions in an (In,Ga)As quantum dot ensemble
Physical review / B covering condensed matter and materials physics 98(20), 205308 () [10.1103/PhysRevB.98.205308] BibTeX | EndNote: XML, Text | RIS

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Kinetic approach to nuclear-spin polaron formation
Physical review / B 102(16), 165309 () [10.1103/PhysRevB.102.165309] BibTeX | EndNote: XML, Text | RIS

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On the Role of Large-Scale Updrafts and Downdrafts in Deviations From Monin–Obukhov Similarity Theory in Free Convection
Boundary layer meteorology 172(3), 371 - 396 () [10.1007/s10546-019-00454-3] BibTeX | EndNote: XML, Text | RIS

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New Insights into Wind Shear Effects on Entrainment in Convective Boundary Layers Using Conditional Analysis
Journal of the atmospheric sciences 77(9), 3227 - 3248 () [10.1175/JAS-D-19-0345.1] BibTeX | EndNote: XML, Text | RIS

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The Calculation of the Axion Mass from Lattice QCD
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 187 - 194 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Trying to constrain the location of the QCD critical endpoint with lattice simulations
Nuclear physics <Amsterdam> / A 982, 843 - 846 () [10.1016/j.nuclphysa.2018.12.015]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Extended investigation of the twelve-flavor β-function
Physics letters / B 779, 230 - 236 () [10.1016/j.physletb.2018.02.008] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Insights into Molecular Recognition: Multi-Resolution Simulations of Proteins and their Hydration Shells to Capture both Global Fluctuations and Chemical Detail
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 127 - 135 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Deep learning in turbulent convection networks
Proceedings of the National Academy of Sciences of the United States of America 116(18), 8667 - 8672 () [10.1073/pnas.1900358116] BibTeX | EndNote: XML, Text | RIS

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Lattice QCD study of the H dibaryon using hexaquark and two-baryon interpolators
Physical review / D D 99(7), 074505 () [10.1103/PhysRevD.99.074505] BibTeX | EndNote: XML, Text | RIS

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Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 53 - 61 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Binding Modes of Thioflavin T and Congo Red to the Fibril Structure of Amyloid-β(1–42)
Chemical communications 56, 7589-7592 () [10.1039/D0CC01161D] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration
Journal of chemical theory and computation 16(7), 4694–4705 () [10.1021/acs.jctc.0c00249] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspects
Biological chemistry 402(9), 1063-1072 () [10.1515/hsz-2021-0166] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Ambient Flow Properties of Kolmogorov-Length-Scale Size Non-Spherical Particles in Isotropic Turbulence
Direct and Large Eddy Simulation XII / García-Villalba, Manuel (Editor) ; Cham : Springer International Publishing, 2020, Chapter 23 ; ISSN: 1382-4309=2215-1826 ; ISBN: 978-3-030-42821-1=978-3-030-42822-8 ; doi:10.1007/978-3-030-42822-8 Cham : Springer International Publishing, ERCOFTAC Series 27, 175 - 181 () [10.1007/978-3-030-42822-8_23] BibTeX | EndNote: XML, Text | RIS

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Correlations for inclined prolates based on highly resolved simulations
Journal of fluid mechanics 901, A5 () [10.1017/jfm.2020.482] BibTeX | EndNote: XML, Text | RIS

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Fourth-order spin correlation function in the extended central spin model
Physical review / B covering condensed matter and materials physics 99(15), 155305 () [10.1103/PhysRevB.99.155305] BibTeX | EndNote: XML, Text | RIS

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A multigrid accelerated eigensolver for the Hermitian Wilson–Dirac operator in lattice QCD
Computer physics communications 258, 107615 - () [10.1016/j.cpc.2020.107615] BibTeX | EndNote: XML, Text | RIS

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Characterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae
Scientific reports 10(1), 15208 () [10.1038/s41598-020-72237-7] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Doping a bad metal: Origin of suppression of the metal-insulator transition in nonstoichiometric $VO_2$
Physical review / B 101(15), 155129 () [10.1103/PhysRevB.101.155129] BibTeX | EndNote: XML, Text | RIS

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Using Highly-Resolved Direct Numerical Simulations to Analyse the Universality of Small-Scale Turbulence
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 405 - 412 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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One-point and two-point statistics of homogeneous isotropic decaying turbulence with variable viscosity
The international journal of heat and fluid flow 72, 143 - 150 () [10.1016/j.ijheatfluidflow.2018.05.013] BibTeX | EndNote: XML, Text | RIS

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Dynamic shortening of disorder potentials in anharmonic halide perovskites
Nature Communications 10(1), 3141 () [10.1038/s41467-019-11087-y] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Leading hadronic contribution to $(g−2)_μ$ from lattice QCD with $N_f=2+1$ flavors of $O(a)$ improved Wilson quarks
Physical review / D D 100(1), 014510 () [10.1103/PhysRevD.100.014510] BibTeX | EndNote: XML, Text | RIS

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Unravelling the Di- and Oligomerisation Interfaces of the G-Protein Coupled Bile Acid Receptor TGR5 via Integrative Modelling
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23 Jülich : John von Neumann Institute for Computing, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 49, 25 - 31 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The many facets of bile acids in the physiology and pathophysiology of the human liver
Biological chemistry 402(9), 1047-1062 () [10.1515/hsz-2021-0156] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A First-Principles Study on the Role of Defects and Impurities in $\beta-In_2S_3$
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 221 - 229 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Energy level alignment of $Cu (In,Ga)\ (S,Se)_2$ absorber compounds with $In_2\ S_3 , NaIn_5 \ S_8$ , and $CuIn_5\ S_8$ Cd-free buffer materials
Physical review materials 3(7), 075401 () [10.1103/PhysRevMaterials.3.075401] BibTeX | EndNote: XML, Text | RIS

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New insights on the nature of impurity levels in V-doped $In_2 S_3$ : why is it impossible to obtain a metallic intermediate band?
Journal of materials chemistry / A 7(13), 7745 - 7751 () [10.1039/C9TA01629E] BibTeX | EndNote: XML, Text | RIS

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Role of oxygen and chlorine impurities in $β − In_2\ S_3$ : A first-principles study
Physical review / B 98(20), 205201 () [10.1103/PhysRevB.98.205201] BibTeX | EndNote: XML, Text | RIS

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Influence of Cu and Na incorporation on the thermodynamic stability and electronic properties of $β-In_2 S_3$
Journal of materials chemistry / C 6(27), 7226 - 7231 () [10.1039/C8TC01341A] BibTeX | EndNote: XML, Text | RIS

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Intrinsic point defects in $β -In_2 S_3$ studied by means of hybrid density-functional theory
Journal of applied physics 123(10), 103103 - () [10.1063/1.5020376] BibTeX | EndNote: XML, Text | RIS

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Koopman analysis of the long-term evolution in a turbulent convection cell
Journal of fluid mechanics 847, 735 - 767 () [10.1017/jfm.2018.297] BibTeX | EndNote: XML, Text | RIS

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Structure of Interfaces in Cu$|$Au Nanolaminates
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 247 - 254 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Embedded atom method potential for studying mechanical properties of binary Cu–Au alloys
Modelling and simulation in materials science and engineering 26(5), 055006 - () [10.1088/1361-651X/aabce4] BibTeX | EndNote: XML, Text | RIS

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Scratching Cu|Au Nanolaminates
Lubricants 7(5), 44 - () [10.3390/lubricants7050044] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Pattern Formation During Deformation of Metallic Nanolaminates
Physical review materials 4(1), 013603 () [10.1103/PhysRevMaterials.4.013603] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Surface Flaws Control Strain Localization in the Deformation of Cu|Au Nanolaminate Pillars
MRS communications 9(3), 1067 - 1071 () [10.1557/mrc.2019.93] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermal Imaging of Block Copolymers with Sub-10 nm Resolution
ACS nano 15(5), 9005 - 9016 () [10.1021/acsnano.1c01820] BibTeX | EndNote: XML, Text | RIS

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Excited-state effects in nucleon structure on the lattice using hybrid interpolators
Physical review / D D 100(7), 074510 () [10.1103/PhysRevD.100.074510] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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SNe Ia from double detonations: Impact of core-shell mixing on the carbon ignition mechanism
Astronomy and astrophysics 635, A169 - () [10.1051/0004-6361/201936494] BibTeX | EndNote: XML, Text | RIS

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Simulation of Record Arctic Stratospheric Ozone Depletion in 2020
Journal of geophysical research / D 126(12), e2020JD033339 () [10.1029/2020JD033339] special issue: "The Exceptional Arctic Polar Vortex in 2019/2020: Causes and Consequences" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Light backscattering from large clusters of densely packed irregular particles
Journal of quantitative spectroscopy & radiative transfer 255, 107234 () [10.1016/j.jqsrt.2020.107234] BibTeX | EndNote: XML, Text | RIS

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Identification of a Conserved Interface of Human Immunodeficiency Virus Type 1 and Feline Immunodeficiency Virus Vifs with Cullin 5
Journal of virology 92(6), e01697-17 () [10.1128/JVI.01697-17] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Cross-correlations of conserved charges from the lattice
Nuclear physics <Amsterdam> / A 982, 303 - 306 () [10.1016/j.nuclphysa.2018.08.027] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Constrained hybrid Monte Carlo algorithms for gauge–Higgs models
Computer physics communications 254, 107192 - () [10.1016/j.cpc.2020.107192] BibTeX | EndNote: XML, Text | RIS

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Formation of a Secretion-Competent Protein Complex by a Dynamic Wrap-around Binding Mechanism
Journal of molecular biology 430(18 Part B), 3157-3169 () [10.1016/j.jmb.2018.07.014]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Simulations of ultra-high energy cosmic rays in the local Universe and the origin of cosmic magnetic fields
Monthly notices of the Royal Astronomical Society 475(2), 2519 - 2529 () [10.1093/mnras/stx3354] BibTeX | EndNote: XML, Text | RIS

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Characterization of wind-shear effects on entrainment in a convective boundary layer
Journal of fluid mechanics 858, 145 - 183 () [10.1017/jfm.2018.761] BibTeX | EndNote: XML, Text | RIS

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Nonsingular Zero-Order Bulk Models of Sheared Convective Boundary Layers
Journal of the atmospheric sciences 76(12), 3697 - 3715 () [10.1175/JAS-D-19-0022.1] BibTeX | EndNote: XML, Text | RIS

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Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5
Nature Communications 12(1), 5254 () [10.1038/s41467-021-25574-8] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nucleon isovector charges and twist-2 matrix elements with $N_f$ = 2 + 1 dynamical Wilson quarks
[10.1103/PhysRevD.100.034513] BibTeX | EndNote: XML, Text | RIS

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An Interannual Probabilistic Assessment of Subsurface Water Storage Over Europe Using a Fully Coupled Terrestrial Model
Water resources research 57(1), 1-17 () [10.1029/2020WR027828] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nucleon axial, scalar, and tensor charges using lattice QCD at the physical pion mass
Physical review / D D 99(11), 114505 () [10.1103/PhysRevD.99.114505] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Superfluid condensate fraction and pairing wave function of the unitary Fermi gas
Physical review / A 101(6), 063615 () [10.1103/PhysRevA.101.063615] BibTeX | EndNote: XML, Text | RIS

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Diblock Copolymers with Similar Glass Transition Temperatures in Both Blocks for Comparing Shear Orientation Processes with DPD Computer Simulations
Macromolecular chemistry and physics 1700559 - () [10.1002/macp.201700559] BibTeX | EndNote: XML, Text | RIS

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Nanoscale Simulations of Li$_4$Ti$_5$O$_{12}$ Li Ion Battery Materials
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 175 - 182 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nature of the excited states of layered systems and molecular excimers: Exciplex states and their dependence on structure
Physical review / B covering condensed matter and materials physics 99(3), 035425 () [10.1103/PhysRevB.99.035425] BibTeX | EndNote: XML, Text | RIS

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Ab initio thermodynamics study of ambient gases reacting with amorphous carbon
Physical review / B covering condensed matter and materials physics 99(5), 054207 () [10.1103/PhysRevB.99.054207] BibTeX | EndNote: XML, Text | RIS

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Hadron-Hadron Interactions from Lattice QCD
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 219 - 226 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Hadron-Hadron interactions from $N_f=2+1+1$ lattice QCD: $I=3/2\pi K$ scattering length
Physical review / D 98(11), 114511 () [10.1103/PhysRevD.98.114511] BibTeX | EndNote: XML, Text | RIS

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Testing microscopically derived descriptions of nuclear collectivity: Coulomb excitation of $^{22}$Mg
Physics letters / B B 782, 468 - 473 () [10.1016/j.physletb.2018.05.064] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Data Assimilation with the Integrated Terrestrial System Model TSMP-PDAF
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 301 - 310 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Numerical Investigation of Turbulent Combustion Noise Using a Hybrid LES/CAA Approach
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 413 - 420 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Emergence of a field-driven U(1) spin liquid in the Kitaev honeycomb model
Nature Communications 10(1), 530 () [10.1038/s41467-019-08459-9] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Generic field-driven phenomena in Kitaev spin liquids: Canted magnetism and proximate spin liquid physics
Physical review / B 103(6), 064417 () [10.1103/PhysRevB.103.064417] BibTeX | EndNote: XML, Text | RIS

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Field-driven gapless spin liquid in the spin-1 Kitaev honeycomb model
Physical review research 2(2), 023361 () [10.1103/PhysRevResearch.2.023361] BibTeX | EndNote: XML, Text | RIS

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The Progenitor Systems of Thermonuclear Supernovae
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 99 - 106 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The emergence of small-scale self-affine surface roughness from deformation
Science advances 6(7), eaax0847 - () [10.1126/sciadv.aax0847] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Ultra-steep-spectrum Radio “Jellyfish” Uncovered in A2877
The astrophysical journal / 1 909(2), 198 - () [10.3847/1538-4357/abe384] BibTeX | EndNote: XML, Text | RIS

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Dominant charge density wave correlations in the Holstein model on the half-filled square lattice
Physical review / B 100(16), 165114 () [10.1103/PhysRevB.100.165114] BibTeX | EndNote: XML, Text | RIS

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Fractionalized Metal in a Falicov-Kimball Model
Physical review letters 121(8), 086601 () [10.1103/PhysRevLett.121.086601] BibTeX | EndNote: XML, Text | RIS

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Orthogonal metal in the Hubbard model with liberated slave spins
Physical review / B 100(12), 125133 () [10.1103/PhysRevB.100.125133] BibTeX | EndNote: XML, Text | RIS

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Charmonium Spectrum from $N_{\mathrm {f}}=3+1$ Lattice QCD
Acta physica Polonica / B / Proceedings supplement 14(1), 209 - () [10.5506/APhysPolBSupp.14.209] BibTeX | EndNote: XML, Text | RIS

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Scale Setting for QCD with Four Dynamical Quarks
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 185 - 192 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Scale setting for $N_\mathrm{f}=3+1$ QCD
The European physical journal / C 80(4), 349 () [10.1140/epjc/s10052-020-7889-7] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Constraint HMC algorithms for gauge-Higgs models
The 36th Annual International Symposium on Lattice Field Theory, Michigan State UniversityMichigan State University, East Lansing, Sissa Medialab Trieste, Italy () [10.22323/1.334.0052] BibTeX | EndNote: XML, Text | RIS

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SDS Adsorptions Films at the H$_2$O-Au(111) Interface: Molecular Dynamics Study of AFM Tip–Surface Contact
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 101 - 107 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermodynamic Cyclic Voltammograms: Peak Positions and Shapes
[10.26434/chemrxiv.14248889.v1] BibTeX | EndNote: XML, Text | RIS

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Electrosorption at metal surfaces from first principles
npj computational materials 6(1), 136 () [10.1038/s41524-020-00394-4] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions
Journal of chemical theory and computation 17(3), 1782 - 1794 () [10.1021/acs.jctc.0c01166] BibTeX | EndNote: XML, Text | RIS

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Fully compressible simulations of waves and core convection in main-sequence stars
Astronomy and astrophysics 641, A18 - () [10.1051/0004-6361/202037531] BibTeX | EndNote: XML, Text | RIS

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Multidimensional low-Mach number time-implicit hydrodynamic simulations of convective helium shell burning in a massive star
Astronomy and astrophysics 653, A55 - () [10.1051/0004-6361/202140825] BibTeX | EndNote: XML, Text | RIS

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Large-Eddy Simulations of Rim Seal Flow in a One-Stage Axial Turbine
Journal of the Global Power and Propulsion Society 4, 309 - 321 () [10.33737/jgpps/129704] DBCoverage BibTeX | EndNote: XML, Text | RIS

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Hierarchical Modelling of Entangled Polymer Melts: Structure and Rheology
NIC Symposium 2018
NIC Symposium 2018, JülichJülich, Germany, 22 Feb 2018 - 23 Feb 20182018-02-222018-02-23
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 49, 303 - 312 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Primitive Path Analysis and Stress Distribution in Highly Strained Macromolecules
ACS Macro Letters 7(1), 107 - 111 () [10.1021/acsmacrolett.7b00808] BibTeX | EndNote: XML, Text | RIS

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Chain Retraction in Highly Entangled Stretched Polymer Melts
Physical review letters 121(16), 167801 () [10.1103/PhysRevLett.121.167801] BibTeX | EndNote: XML, Text | RIS

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A coarse-grained polymer model for studying the glass transition
The journal of chemical physics 150(9), 091101 - () [10.1063/1.5089417] BibTeX | EndNote: XML, Text | RIS

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Efficient equilibration of confined and free-standing films of highly entangled polymer melts
The journal of chemical physics 153(14), 144902 - () [10.1063/5.0022781] BibTeX | EndNote: XML, Text | RIS

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Analysis of the effect of freestream turbulence on dynamic stall of wind turbine blades
The international journal of heat and fluid flow 85, 108668 () [10.1016/j.ijheatfluidflow.2020.108668] BibTeX | EndNote: XML, Text | RIS

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Adaptive control in roll-forward recovery for extreme scale multigrid
The international journal of high performance computing applications 109434201881708 -<