Publications of NIC projects 2016
Journal Article
The QCD phase diagram in the limit of heavy quarks using complex Langevin dynamics
Journal of high energy physics 2016(9), 87 (2016) [10.1007/JHEP09(2016)087]
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Contribution to a conference proceedings
Structural Predictions of Intrinsically Disordered Proteins with Computational Methods
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 89-96 (2016)
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Journal Article
Direct Evaluation of the Quark Content of Nucleons from Lattice QCD at the Physical Point
Physical review letters 116(25), 252001 (2016) [10.1103/PhysRevLett.116.252001]
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Journal Article
Interfaces and interphases in nanoglasses: Surface segregation effects and their implications on structural propertiesa22
Acta materialia 113, 284 - 292 (2016) [10.1016/j.actamat.2016.05.002]
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Journal Article
Axial charges of hyperons and charmed baryons using $N_f = 2 + 1 + 1$ twisted mass fermions
Physical review / D 94(3), 034502 (2016) [10.1103/PhysRevD.94.034502]
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Journal Article
Neutron electric dipole moment using $N_f = 2 + 1 + 1$ twisted mass fermions
Physical review / D 93(7), 074503 (2016) [10.1103/PhysRevD.93.074503]
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Journal Article
Adaptive aggregation-based domain decomposition multigrid for twisted mass fermions
Physical review / D 94(11), 114509 (2016) [10.1103/PhysRevD.94.114509]
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Journal Article
Slow down of a globally neutral relativistic e−e+ beam shearing the vacuum
Plasma physics and controlled fusion 58(1), 014025 - (2016) [10.1088/0741-3335/58/1/014025]
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Journal Article
Analyses of external and global intermittency in the logarithmic layer of Ekman flow
Journal of fluid mechanics 805, 611 - 635 (2016) [10.1017/jfm.2016.534]
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Journal Article
The FLASHForward facility at DESY
Nuclear instruments & methods in physics research / A 806, 175 - 183 (2016) [10.1016/j.nima.2015.10.005]
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Journal Article
Simple Fermionic Model of Deconfined Phases and Phase Transitions
Physical review / X 6(4), 041049 (2016) [10.1103/PhysRevX.6.041049]
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Journal Article
Lattice simulations with $N_f = 2 + 1$ improved Wilson fermions at a fixed strange quark mass
Physical review / D 94(7), 074501 (2016) [10.1103/PhysRevD.94.074501]
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Journal Article
A hybrid finite difference–boundary element procedure for the simulation of turbulent MHD duct flow at finite magnetic Reynolds number
Journal of computational physics 304, 320 - 339 (2016) [10.1016/j.jcp.2015.10.007]
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Contribution to a conference proceedings
Formation of Star-Forming Clouds from the Magnetised, Diffuse Interstellar Medium
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 51-59 (2016)
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Contribution to a conference proceedings
Structures and Phases in (Nano-)Systems in Confined Geometry
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 229-239 (2016)
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Journal Article
New constraints on modelling the random magnetic field of the MW07
Journal of cosmology and astroparticle physics 2016(05), 056 - 056 (2016) [10.1088/1475-7516/2016/05/056]
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Journal Article/Contribution to a conference proceedings
Towards the QCD phase diagram from analytical continuation
Quark Matter 2015, KobeKobe, Japan, 27 Sep 2016 - 3 Oct 2016
Nuclear physics <Amsterdam> / A 956, 797 - 800 (2016) [10.1016/j.nuclphysa.2016.02.010]
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Journal Article
The light bound states of supersymmetric SU(2) Yang-Mills theory
Journal of high energy physics 2016(3), 80 (2016) [10.1007/JHEP03(2016)080]
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Journal Article
Gravitational waveforms from binary neutron star mergers with high-order weighted-essentially-nonoscillatory schemes in numerical relativity
Physical review / D 94(6), 064062 (2016) [10.1103/PhysRevD.94.064062]
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Book/Proceedings
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, NIC Series 48, vi, 417 S. (2016)
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Journal Article
Few-nucleon systems with state-of-the-art chiral nucleon-nucleon forces-
Physical review / C 93(4), 044002 (2016) [10.1103/PhysRevC.93.044002]
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Contribution to a conference proceedings
Relativistic Quantum Molecular DynamicsSimulations of Multi-Strange Particle Production
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 13-19 (2016)
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Journal Article
Towards understanding photomigration: Insights from atomistic simulations of azopolymer films explicitly including light-induced isomerization dynamics
The journal of chemical physics 145(15), 154701 - (2016) [10.1063/1.4964485]
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Journal Article
Calculation of the axion mass based on high-temperature lattice quantum chromodynamics
Nature <London> 539(7627), 69 - 71 (2016) [10.1038/nature20115]
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Journal Article
Axion cosmology, lattice QCD and the dilute instanton gas
Physics letters / B 752, 175 - 181 (2016) [10.1016/j.physletb.2015.11.020]
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Contribution to a conference proceedings/Contribution to a book
The Mass Difference Between Protons and Neutrons and the Fine Tuning of Physical Constants
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 145-152 (2016)
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Journal Article
Generalised higher-order Kolmogorov scales
Journal of fluid mechanics 794, 233 - 251 (2016) [10.1017/jfm.2016.172]
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Journal Article
Transition to turbulence in Hunt's flow in a moderate magnetic field
epl 115(4), 44002 (2016) [10.1209/0295-5075/115/44002]
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Journal Article
Charge transport and vector meson dissociation across the thermal phase transition in lattice QCD with two light quark flavors
Physical review / D 93(5), 054510 (2016) [10.1103/PhysRevD.93.054510]
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Journal Article
On the strength of the $U_A(1)$ anomaly at the chiral phase transition in $N_f = 2$ QCD
Journal of high energy physics 2016(12), 158 (2016) [10.1007/JHEP12(2016)158]
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Journal Article
Multigrid preconditioning for the overlap operator in lattice QCD
Numerische Mathematik 132(3), 463 - 490 (2016) [10.1007/s00211-015-0725-6]
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Journal Article
What determines the fate of rising parcels in a heterogeneous environment?
Journal of advances in modeling earth systems 8(4), 1674 - 1690 (2016) [10.1002/2016MS000750]
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Journal Article
Anatomically Detailed and Large-Scale Simulations Studying Synapse Loss and Synchrony Using NeuroBox
Frontiers in neuroanatomy 10, (2016) [10.3389/fnana.2016.00008]
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Contribution to a conference proceedings
Nanostructured Metallic Glasses: Tailoring the Mechanical Properties of Amorphous Metals
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 191-198 (2016)
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Journal Article
Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr-Based Metallic Glasses
Physical review applied 5(5), 054005 (2016) [10.1103/PhysRevApplied.5.054005]
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Contribution to a conference proceedings
Computational Aspects of High-Resolution Global Gravity Field Determination – Numbering Schemes and Reordering
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 309-317 (2016)
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Journal Article
Entanglement and the fermion sign problem in auxiliary field quantum Monte Carlo simulations
Physical review / B 94(7), 075144 (2016) [10.1103/PhysRevB.94.075144]
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Journal Article
Numerical stabilization of entanglement computation in auxiliary-field quantum Monte Carlo simulations of interacting many-fermion systems
Physical review / E 94(6), 063306 (2016) [10.1103/PhysRevE.94.063306]
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Journal Article
THE LAUNCHING OF COLD CLOUDS BY GALAXY OUTFLOWS. II. THE ROLE OF THERMAL CONDUCTION
The astrophysical journal / 1 822(1), 31 - (2016) [10.3847/0004-637X/822/1/31]
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Journal Article
Predicting polarization signatures for double-detonation and delayed-detonation models of Type Ia supernovae
Monthly notices of the Royal Astronomical Society 462(1), 1039 - 1056 (2016) [10.1093/mnras/stw1733]
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Journal Article
Approximation schemes for the study of multi-band Gutzwiller wave functions
Physica status solidi / B 254(1), 1600166 (2016) [10.1002/pssb.201600166]
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Journal Article
Interplay of Coulomb interaction and spin-orbit coupling
Physical review / B 94(3), 035116 (2016) [10.1103/PhysRevB.94.035116]
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Contribution to a conference proceedings/Contribution to a book
Scalability of Classical Algebraic Multigrid for Elasticity to Half a Million Parallel Tasks
Software for Exascale Computing - SPPEXA 2013-2015
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 113, 113 - 140 (2016) [10.1007/978-3-319-40528-5_6]
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One-Way and Fully-Coupled FE2 Methods for Heterogeneous Elasticity and Plasticity Problems: Parallel Scalability and an Application to Thermo-Elastoplasticity of Dual-Phase Steels
Software for Exascale Computing - SPPEXA 2013-2015
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 113, 91 - 112 (2016) [10.1007/978-3-319-40528-5_5]
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Journal Article
A Tetrahedral Space-Filling Curve for Nonconforming Adaptive Meshes
SIAM journal on scientific computing 38(5), C471 - C503 (2016) [10.1137/15M1040049]
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Journal Article
Computational analysis of nozzle geometry variations for subsonic turbulent jets
Computers & fluids 136, 467 - 484 (2016) [10.1016/j.compfluid.2016.05.033]
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Journal Article
On Electron Adiabaticity in Collisionless Shocks
Frontiers in physics 4, (2016) [10.3389/fphy.2016.00029]
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Journal Article
On the role of ion-scale whistler waves in space and astrophysical plasma turbulence
Annales geophysicae 34(11), 975 - 984 (2016) [10.5194/angeo-34-975-2016]
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Contribution to a conference proceedings
Simulation of Electron Transfer and Electron Transport in Molecular Systems at Surfaces
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 133-140 (2016)
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Contribution to a conference proceedings
The QCD Phase Transition with Two Quark Flavours
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 31-38 (2016)
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Journal Article
Understanding the growth mechanism of graphene on Ge/Si(001) surfaces
Scientific reports 6(1), 31639 (2016) [10.1038/srep31639]
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Contribution to a conference proceedings
Contact Mechanics and Fluid Leakage Near Percolation
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 21-29 (2016)
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Journal Article
Long-resident droplets at the stratocumulus top
Atmospheric chemistry and physics 16(10), 6563 - 6576 (2016) [10.5194/acp-16-6563-2016]
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Journal Article
Three-particle correlation from a Many-Body Perspective: Trions in a Carbon Nanotube
Physical review letters 116(19), 196804 (2016) [10.1103/PhysRevLett.116.196804]
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Contribution to a conference proceedings
The Pseudocritical Line in the QCD Phase Diagram
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 153-160 (2016)
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Journal Article
Secondary optimal energy growth and magnetic damping of turbulence in Hartmann channel flow
European journal of mechanics / B 60, 209 - 218 (2016) [10.1016/j.euromechflu.2016.06.008]
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Journal Article
Force-Induced Reversal of β-Eliminations: Stressed Disulfide Bonds in Alkaline Solution
Angewandte Chemie / International edition 55(4), 1304 - 1308 (2016) [10.1002/anie.201508005]
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Journal Article
Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution
Nature chemistry 9(2), 164 - 170 (2016) [10.1038/nchem.2632]
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Contribution to a conference proceedings
Towards Plasma-Driven Free-Electron Lasers
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 401-408 (2016)
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Journal Article
Plasma-driven ultrashort bunch diagnostics
Physical review accelerators and beams 19(6), 062801 (2016) [10.1103/PhysRevAccelBeams.19.062801]
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Journal Article
Nucleon matrix elements using the variational method in lattice QCD
Physical review / D 94(7), 074505 (2016) [10.1103/PhysRevD.94.074505]
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Journal Article
Proton Conductivity in Hydrogen Phosphate/Sulfates from a Coupled Molecular Dynamics/Lattice Monte Carlo (cMD/LMC) Approach
The journal of physical chemistry <Washington, DC> / C 120(36), 19913 - 19922 (2016) [10.1021/acs.jpcc.6b05822]
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Journal Article
Lattice Computation of the Nucleon Scalar Quark Contents at the Physical Point
Physical review letters 116(17), 172001 (2016) [10.1103/PhysRevLett.116.172001]
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Contribution to a book
Ab Initio modeling of Graphene Nucleation and Growth, in Low-Dimensional and Nanostructured Materials and Devices
[Ebook] Low-Dimensional and Nanostructured Materials and Devices : Properties, Synthesis, Characterization, Modelling and Applications / Ünlü, Hilmi ; Horing, Norman J. M. ; Dabowski, Jaroslaw 1st ed. 2016, Cham : Springer International Publishing, 2015,
Cham : Springer International Publishing, NanoScience and Technology : 1st ed. 2016, Online-Ressource (688 p) (2016) [10.1007/978-3-319-25340-4]
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Journal Article
Nuclear Binding Near a Quantum Phase Transition
Physical review letters 117(13), 132501 (2016) [10.1103/PhysRevLett.117.132501]
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Contribution to a conference proceedings
Supercomputing Studies in Turbulent Rayleigh-Benard Convection: Challenges and Perspectives
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 381-388 (2016)
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Journal Article
A chemically driven quantum phase transition in a two-molecule Kondo system
Nature physics 12(9), 867 - 873 (2016) [10.1038/nphys3737]
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Review/Journal Article
On the universality of interstellar filaments: theory meets simulations and observations
Monthly notices of the Royal Astronomical Society 457(1), 375 - 388 (2016) [10.1093/mnras/stv2880]
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Journal Article
Up and Down Quark Masses and Corrections to Dashen’s Theorem from Lattice QCD and Quenched QED
Physical review letters 117(8), 082001 (2016) [10.1103/PhysRevLett.117.082001]
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Journal Article
Fate of the conformal fixed point with twelve massless fermions and SU(3) gauge group
Physical review / D 94(9), 091501 (2016) [10.1103/PhysRevD.94.091501]
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Journal Article
Electroweak interactions and dark baryons in the sextet BSM model with a composite Higgs particle
Physical review / D 94(1), 014503 (2016) [10.1103/PhysRevD.94.014503]
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Journal Article
GW calculations for Bi2Te3 and Sb2Te3 thin films: Electronic and topological properties
Physical review / B 93(20), 205442 (2016) [10.1103/PhysRevB.93.205442]
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Contribution to a conference proceedings
Towards Restoring Catalytic Activity of Glutamine Synthetase With a Clinically Relevant Mutation
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 97-104 (2016)
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Journal Article
Molecular Mechanisms of Glutamine Synthetase Mutations that Lead to Clinically Relevant Pathologies
PLoS Computational Biology 12(2), e1004693 - (2016) [10.1371/journal.pcbi.1004693]
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Journal Article
Method to generate a pulse train of few-cycle coherent radiation
Physical review accelerators and beams 19(9), 090701 (2016) [10.1103/PhysRevAccelBeams.19.090701]
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Contribution to a conference proceedings/Contribution to a book
Generalized Energy Budget Equations for Large-Eddy Simulations of Scalar Turbulence
New Results in Numerical and Experimental Fluid Mechanics X / Dillmann, Andreas (Editor) ; Cham : Springer International Publishing, 2016, Chapter 11 ; ISSN: 1612-2909=1860-0824 ; ISBN: 978-3-319-27278-8=978-3-319-27279-5 ; doi:10.1007/978-3-319-27279-5
19th STAB/DGLR Symposium, MunichMunich, Germany, 1 Nov 2016 - 4 Nov 2016
Cham : Springer International Publishing, Notes on Numerical Fluid Mechanics and Multidisciplinary Design 132, 123 - 133 (2016) [10.1007/978-3-319-27279-5_11]
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Contribution to a conference proceedings
The Strong Interaction at Neutron-Rich Extremes
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 179-186 (2016)
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Massively Parallel Large Scale Stokes Flow Simulation
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 333-341 (2016)
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Journal Article
A quantitative performance study for Stokes solvers at the extreme scale
Journal of computational science 17, 509 - 521 (2016) [10.1016/j.jocs.2016.06.006]
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Journal Article
Kármán vortex and turbulent wake generation by wind park piles
Ocean dynamics (2016) [10.1007/s10236-016-0995-2]
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Journal Article
Structural assemblies of the di- and oligomeric G-protein coupled receptor TGR5 in live cells: an MFIS-FRET and integrative modelling study
Scientific reports 6, 36792 - (2016) [10.1038/srep36792]
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Journal Article
Interpretation of Raman spectra of the zircon–hafnon solid solution
European journal of mineralogy 28(4), 721 - 733 (2016) [10.1127/ejm/2016/0028-2551]
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Journal Article
Propagation of ultrahigh energy cosmic rays in extragalactic magnetic fields: a view from cosmological simulations
Monthly notices of the Royal Astronomical Society 462(4), 3660 - 3671 (2016) [10.1093/mnras/stw1903]
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Contribution to a conference proceedings
Very High Resolution Simulations of African Climate with the Regional Climate Model REMO
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 291-298 (2016)
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Analysing the Scalability of Climate Codes Using New Features of Scalasca
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 343-350 (2016)
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Journal Article
Towards convection-resolving, global atmospheric simulations with the Model for Prediction Across Scales (MPAS) v3.1: an extreme scaling experiment
Geoscientific model development 9(1), 77 - 110 (2016) [10.5194/gmd-9-77-2016]
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Journal Article
Modelling elliptically polarised free electron lasers
New journal of physics 18(6), 062003 - (2016) [10.1088/1367-2630/18/6/062003]
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Contribution to a conference proceedings
LOFAR: Calibration and Imaging on JURECA
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 69-76 (2016)
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Journal Article
Edge instabilities of topological superconductors03
Physical review / B 93(20), 201116 (2016) [10.1103/PhysRevB.93.201116]
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Using Molecular Dynamics to Model the Stacking Behaviour of Perylene Bisimide Derivatives in Aromatic Solvent
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 105-112 (2016)
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Journal Article
Isospin splittings of meson and baryon masses from three-flavor lattice QCD + QED
Journal of physics / G 43(10), 10LT02 - (2016) [10.1088/0954-3899/43/10/10LT02]
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Journal Article
Static and dynamic properties of large polymer melts in equilibrium
The journal of chemical physics 144(15), 154907 - (2016) [10.1063/1.4946033]
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Journal Article
Resilience for Massively Parallel Multigrid Solvers
SIAM journal on scientific computing 38(5), S217 - S239 (2016) [10.1137/15M1026122]
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Journal Article
Staircase of crystal phases of hard-core bosons on the kagome lattice
Physical review / B 94(16), 165124 (2016) [10.1103/PhysRevB.94.165124]
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Journal Article
Quantum Monte Carlo study of long-range transverse-field Ising models on the triangular lattice
Physical review / B 93(10), 104412 (2016) [10.1103/PhysRevB.93.104412]
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Journal Article
On the impact of the turbulent/non-turbulent interface on differential diffusion in a turbulent jet flow
Journal of fluid mechanics 802, R5 (2016) [10.1017/jfm.2016.471]
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Journal Article
Alkyl-Based Surfactants at a Liquid Mercury Surface: Computer Simulation of Structure, Self-Assembly, and Phase Behavior
The journal of physical chemistry letters 7(8), 1546 - 1553 (2016) [10.1021/acs.jpclett.6b00494]
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Journal Article
Probing the Methyl Torsional Barriers of the E and Z Isomers of Butadienyl Acetate by Microwave Spectroscopy
ChemPhysChem 17(17), 2660 - 2665 (2016) [10.1002/cphc.201600265]
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Journal Article
Investigations of boundary layer structure, cloud characteristics and vertical mixing of aerosols at Barbados with large eddy simulations
Atmospheric chemistry and physics 16(2), 651 - 674 (2016) [10.5194/acp-16-651-2016]
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Dynamical Simulations of Lattice QCD
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 39-45 (2016)
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Journal Article
Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics
Physical review / E 93(4), 043305 (2016) [10.1103/PhysRevE.93.043305]
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Journal Article
A nonlinear model for rotationally constrained convection with Ekman pumping
Journal of fluid mechanics 798, 50 - 87 (2016) [10.1017/jfm.2016.225]
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Journal Article
Toward Realistic Transfer Rates within the Coupled Molecular Dynamics/Lattice Monte Carlo Approach
The journal of physical chemistry <Washington, DC> / C 120(36), 19905 - 19912 (2016) [10.1021/acs.jpcc.6b05821]
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A Highly Scalable Implementation of Inexact Nonlinear FETI-DP Without Sparse Direct Solvers
Numerical Mathematics and Advanced Applications ENUMATH 2015
The European Conference on Numerical Mathematics and Advanced Applications (ENUMATH), Meeting location,
Cham : Springer International Publishing, Lecture Notes in Computational Science and Engineering 112, 255 - 264 (2016) [10.1007/978-3-319-39929-4_25]
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Forward and Inverse Modelling of Lithospheric Deformation on Geological Timescales
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 299-307 (2016)
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Journal Article
Impact of Thermally Driven Turbulence on the Bottom Melting of Ice
Journal of physical oceanography 46(4), 1171 - 1187 (2016) [10.1175/JPO-D-15-0126.1]
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Journal Article
Reconciling estimates of the ratio of heat and salt fluxes at the ice-ocean interface
Journal of geophysical research / Oceans 121(12), 8419 - 8433 (2016) [10.1002/2016JC012018]
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On the Parametrisation of Lattice Boltzmann Method in Pore-Scale Flow Simulations
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 389-396 (2016)
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Journal Article
Stable discrete representation of relativistically drifting plasmas
Physics of plasmas 23(10), 100704 - (2016) [10.1063/1.4964770]
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The Formation of Planetesimals: Building Bricks for Planetary Systems
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 61-68 (2016)
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Journal Article
Quantum Monte Carlo calculations of two neutrons in finite volume
Physical review / C 94(5), 054005 (2016) [10.1103/PhysRevC.94.054005]
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Journal Article
Phase transitions in the system CaCO$_3$ at high P and T determined by in-situ vibrational spectroscopy in diamond anvil cells and first-principles simulations
Physics and chemistry of minerals 43(8), 545 - 561 (2016) [10.1007/s00269-016-0815-8]
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Journal Article
Stress Induced Branching of Growing Crystals on Curved Surfaces
Physical review letters 116(13), 135502 (2016) [10.1103/PhysRevLett.116.135502]
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Direct Numerical Simulations of Impeller Driven Turbulence and Dynamo Action
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 365-372 (2016)
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Journal Article
The peculiar Type Ia supernova iPTF14atg: Chandrasekhar-mass explosion or violent merger?
Monthly notices of the Royal Astronomical Society 459(4), 4428 - 4439 (2016) [10.1093/mnras/stw962]
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Journal Article
Automatic Generation of Massively Parallel Codes from ExaSlang
Computation 4(4), 27 - (2016) [10.3390/computation4030027]
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Journal Article
Ni partitioning between metal and silicate melts: An exploratory ab initio molecular dynamics simulation study
Chemical geology S0009254116305691 (2016) [10.1016/j.chemgeo.2016.10.028]
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Journal Article
Broadband stimulated Raman backscattering
New journal of physics 18(7), 073048 - (2016) [10.1088/1367-2630/18/7/073048]
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Journal Article
eMC: A Monte Carlo scheme with energy conservation
epl 114(2), 20001 (2016) [10.1209/0295-5075/114/20001]
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Journal Article
Electron dichotomy on the SrTiO$_3$ defect surface augmented by many-body effects
Physical review / B 93(12), 121103 (2016) [10.1103/PhysRevB.93.121103]
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Journal Article
Temperature dependence of seed pulse amplitude and density grating in Brillouin amplification
Physics of plasmas 23(2), 023107 - (2016) [10.1063/1.4941966]
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Journal Article
Transient Plasma Photonic Crystals for High-Power Lasers
Physical review letters 116(22), 225002 (2016) [10.1103/PhysRevLett.116.225002]
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Journal Article
Efficient Semi-Lagrangian Vlasov-Maxwell Simulations of High Order Harmonic Generation from Relativistic Laser-Plasma Interactions
Communications in computational physics 20(03), 583 - 602 (2016) [10.4208/cicp.OA-2015-0019]
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Journal Article
Mott Quantum Criticality in the Anisotropic 2D Hubbard Model
Physical review letters 116(8), 086403 (2016) [10.1103/PhysRevLett.116.086403]
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Journal Article
Single-chain-in-mean-field simulations of weak polyelectrolyte brushesc
The journal of chemical physics 145(22), 224902 - (2016) [10.1063/1.4971212]
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Journal Article
Functional Poly(N-isopropylacrylamide)/Poly(acrylic acid) Mixed Brushes for Controlled Manipulation of Nanoparticles
Macromolecules 49(14), 5256 - 5265 (2016) [10.1021/acs.macromol.6b00535]
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Calculation of the Work of Adhesion of Solid-Liquid Interfaces by Molecular Dynamics Simulations
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 279-286 (2016)
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Journal Article
Revisiting the droplet simulation approach to derive force-field parameters for water on molybdenum disulfide from wetting angle measurements
The journal of chemical physics 145(16), 164705 - (2016) [10.1063/1.4966215]
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Journal Article
Directed self-assembly of block copolymers by chemical or topographical guiding patterns: Optimizing molecular architecture, thin-film properties, and kinetics
Progress in polymer science 54-55, 47 - 75 (2016) [10.1016/j.progpolymsci.2015.10.008]
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Journal Article
Thermodynamics and Kinetics of Defect Motion and Annihilation in the Self-Assembly of Lamellar Diblock Copolymers
Macromolecules 49(16), 6126 - 6138 (2016) [10.1021/acs.macromol.6b01088]
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Scientific Big Data Analytics by HPC
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 1-10 (2016)
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Journal Article
Inverse Faraday effect driven by radiation friction
New journal of physics 18(7), 072001 - (2016) [10.1088/1367-2630/18/7/072001]
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Journal Article
Inverse simulated annealing: Improvements and application to amorphous InSb
Computational materials science 117, 7 - 14 (2016) [10.1016/j.commatsci.2016.01.017]
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Journal Article
Metal-Free CVD Graphene Synthesis on 200 mm Ge/Si(001) Substrates
ACS applied materials & interfaces 8(49), 33786 - 33793 (2016) [10.1021/acsami.6b11397]
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Journal Article
Chiral Three-Nucleon Interactions in Light Nuclei, Neutron-α Scattering, and Neutron Matter
Physical review letters 116(6), 062501 (2016) [10.1103/PhysRevLett.116.062501]
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Journal Article
The type Iax supernova, SN 2015H
Astronomy and astrophysics 589, A89 - (2016) [10.1051/0004-6361/201528036]
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Journal Article
Ion-acoustic shocks with self-regulated ion reflection and acceleration
Physics of plasmas 23(4), 043105 - (2016) [10.1063/1.4945649]
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Journal Article
Hot spots and dark current in advanced plasma wakefield accelerators
Physical review accelerators and beams 19(1), 011303 (2016) [10.1103/PhysRevAccelBeams.19.011303]
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Journal Article
Using carbon nanodots as inexpensive and environmentally friendly sensitizers in mesoscopic solar cells
Nanoscale horizons 1(3), 220 - 226 (2016) [10.1039/C6NH00010J]
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Contribution to a conference proceedings
Numerical Analysis of the FDA Centrifugal Blood Pump
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 355-364 (2016)
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Journal Article
Collective migration under hydrodynamic interactions: a computational approach
Interface focus 6(5), 20160037 - (2016) [10.1098/rsfs.2016.0037]
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Journal Article
Margination of white blood cells: a computational approach by a hydrodynamic phase field model
Journal of fluid mechanics 790, 389 - 406 (2016) [10.1017/jfm.2016.15]
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Contribution to a conference proceedings/Contribution to a book
Pushing the Boundaries of Nuclear Physics with Lattice Simulations
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 161-168 (2016)
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Journal Article
Near-Surface Effects of Free Atmosphere Stratification in Free Convection
Boundary layer meteorology 159(1), 69 - 95 (2016) [10.1007/s10546-015-0105-x]
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Process-Directed Self-Assembly of Copolymer Materials
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 271-278 (2016)
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Contribution to a conference proceedings
Prebiotic Chemistry in Nanoconfinement
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 125-132 (2016)
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Journal Article
On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores
Nature Communications 7, 12625 - (2016) [10.1038/ncomms12625]
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Journal Article
Numerical test of finite-size scaling predictions for the droplet condensation-evaporation transition
Journal of physics / Conference Series 759, 012009 - (2016) [10.1088/1742-6596/759/1/012009]
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Journal Article
Combined effects of prescribed pressure gradient and buoyancy in boundary layer of turbulent Rayleigh–Bénard convection
European journal of mechanics / B 57, 64 - 74 (2016) [10.1016/j.euromechflu.2016.02.001]
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Journal Article
Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory
International journal of quantum chemistry / Symposium 116(15), 1160 - 1165 (2016) [10.1002/qua.25150]
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Journal Article
Contact area of rough spheres: Large scale simulations and simple scaling laws
Applied physics letters 108(22), 221601 - (2016) [10.1063/1.4950802]
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Journal Article
The effects of Ekman pumping on quasi-geostrophic Rayleigh–Bénard convection
Journal of fluid mechanics 803, 51 - 71 (2016) [10.1017/jfm.2016.452]
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Journal Article
Effects of tip-gap width on the flow field in an axial fan
The international journal of heat and fluid flow 61, 466 - 481 (2016) [10.1016/j.ijheatfluidflow.2016.06.009]
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Anisotropic Magneto-Thermopower in M/Co/M (M = Cu; Pd; Pt) Trilayer Systems
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 217-224 (2016)
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Journal Article
Chemical Substitution - Alignment of the Surface Potentials for Efficient Charge Transport in Nanocrystalline TiO$_2$ Photocatalysts
Chemistry of materials 28(12), 4223 - 4230 (2016) [10.1021/acs.chemmater.6b00846]
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Journal Article
Numerical simulations of magnetohydrodynamic flows driven by a moving permanent magnet
Physical review fluids 1(4), 043601 (2016) [10.1103/PhysRevFluids.1.043601]
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Highly-Resolved Numerical Simulation of the Turbulent Combustion Process in Experimental Burners
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 373-380 (2016)
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Journal Article
Insights from inside the spinodal: Bridging thermalization time scales with smoothed particle hydrodynamics
Physical review / E 94(2), 022616 (2016) [10.1103/PhysRevE.94.022616]
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Quantum Monte Carlo Simulations of Strongly Correlated Electron Systems: The Dimensional Crossover
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 241-248 (2016)
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Journal Article
Incompressible two-phase flows with an inextensible Newtonian fluid interface
Journal of computational physics 322, 850 - 858 (2016) [10.1016/j.jcp.2016.07.023]
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Optical Spectra of Carbon-Based Nanostructures
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 249-256 (2016)
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Understanding Tribology and Machining Processes through Computationally Intensive Large Scale MD
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 199-208 (2016)
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Journal Article
Growth of ScN(111) on Sc$_2$O$_3$(111) for GaN integration on Si(111): Experiment and ab-initio calculations
Journal of applied physics 120(13), 135103 - (2016) [10.1063/1.4963826]
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Journal Article
Boundary lubrication of heterogeneous surfaces and the onset of cavitation in frictional contacts
Science advances 2(3), e1501585 - e1501585 (2016) [10.1126/sciadv.1501585]
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Journal Article
Spatially resolved dielectric constant of confined water and its connection to the non-local nature of bulk water
The journal of chemical physics 145(8), 084901 - (2016) [10.1063/1.4960775]
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Hadron Structure from Lattice QCD
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 169-177 (2016)
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Journal Article
Competing Orders in a Nearly Antiferromagnetic Metal
Physical review letters 117(9), 097002 (2016) [10.1103/PhysRevLett.117.097002]
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Journal Article
Global and local statistics in turbulent convection at low Prandtl numbers
Journal of fluid mechanics 802, 147 - 173 (2016) [10.1017/jfm.2016.457]
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Journal Article
First-order phase transitions in the real microcanonical ensemble
Physical review / E 94(2), 021301 (2016) [10.1103/PhysRevE.94.021301]
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Journal Article
Dynamical transition between weak and strong coupling in Brillouin laser pulse amplification
Physics of plasmas 23(8), 083105 - (2016) [10.1063/1.4960028]
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Journal Article
Reversible uniaxial strain tuning in atomically thin WSe2
2D Materials 3(2), 021011 - (2016) [10.1088/2053-1583/3/2/021011]
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Journal Article
The generation of magnetic fields by the Biermann battery and the interplay with the Weibel instability
Physics of plasmas 23(5), 056304 - (2016) [10.1063/1.4946017]
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Turbulence and Its Effect on Protostellar Disk Formation
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 77-82 (2016)
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Journal Article
Modelling the chemistry of star-forming filaments – I. H$_2$ and CO chemistry
Monthly notices of the Royal Astronomical Society / Letters 459(1), L11 - L15 (2016) [10.1093/mnrasl/slw035]
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Journal Article
Three-dimensional simulations of gravitationally confined detonations compared to observations of SN 1991T
Astronomy and astrophysics 592, A57 - (2016) [10.1051/0004-6361/201527251]
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Journal Article
Elasticity limits structural superlubricity in large contactshfr13
Physical review / B 93(12), 121402 (2016) [10.1103/PhysRevB.93.121402]
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Journal Article
Exploring sd-shell nuclei from two- and three-nucleon interactions with realistic saturation properties
Physical review / C 93(1), 011302 (2016) [10.1103/PhysRevC.93.011302]
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Journal Article
Structural and dynamical properties of supercritical H$_2$O–SiO$_2$ fluids studied by ab initio molecular dynamics
Chemical geology 426, 85 - 94 (2016) [10.1016/j.chemgeo.2016.01.010]
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Towards a Better Understanding of Rotating Turbulent Convection in Geo- and Astrophysical Systems
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 319-328 (2016)
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Collisionless Shocks and Mediating Instabilities
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 409-417 (2016)
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Journal Article
Optimizing laser-driven proton acceleration from overdense targets
Scientific reports 6(1), 29402 (2016) [10.1038/srep29402]
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Physics of collisionless shocks: theory and simulation
Plasma physics and controlled fusion 58(1), 014005 - (2016) [10.1088/0741-3335/58/1/014005]
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Ground and excited states of doubly open-shell nuclei from ab initio valence-space Hamiltonians
Physical review / C 93(5), 051301 (2016) [10.1103/PhysRevC.93.051301]
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Constraints on phase stability, defect energies, and elastic constants of metals described by EAM-type potentials
Journal of physics / Condensed matter 28(39), 395701 - (2016) [10.1088/0953-8984/28/39/395701]
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Process-directed self-assembly of multiblock copolymers: Solvent casting vs spray coating
European physical journal special topics 225(8-9), 1785 - 1803 (2016) [10.1140/epjst/e2016-60121-6]
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Quantum Monte Carlo calculations of neutron matter with chiral three-body forces
Physical review / C 93(2), 024305 (2016) [10.1103/PhysRevC.93.024305]
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Contribution to a conference proceedings
Ab Initio Molecular Dynamics Simulations of Ionic Liquids
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 117-124 (2016)
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Climate change impacts on the power generation potential of a European mid-century wind farms scenario
Environmental research letters 11(3), 034013 - (2016) [10.1088/1748-9326/11/3/034013]
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Shape Analysis of DNA–Au Hybrid Particles by Analytical Ultracentrifugation
ACS nano 10(8), 7418 - 7427 (2016) [10.1021/acsnano.6b01377]
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Growth and Decay of a Convective Boundary Layer over a Surface with a Constant Temperature
Journal of the atmospheric sciences 73(5), 2165 - 2177 (2016) [10.1175/JAS-D-15-0315.1]
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Orbital origin of the electrical conduction in ferromagnetic atomic-size contacts: Insights from shot noise measurements and theoretical simulations7
Physical review / B 93(8), 085439 (2016) [10.1103/PhysRevB.93.085439]
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Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations
Contributions to mineralogy and petrology 171(12), 98 (2016) [10.1007/s00410-016-1308-y]
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The structure of Y- and La-bearing aluminosilicate glasses and melts: A combined molecular dynamics and diffraction study
Chemical geology S0009254116306969 (2016) [10.1016/j.chemgeo.2016.12.036]
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Offset-corrected Δ-Kohn-Sham scheme for semiempirical prediction of absolute x-ray photoelectron energies in molecules and solids
Physical review / B 94(4), 041112 (2016) [10.1103/PhysRevB.94.041112]
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Continuous-time quantum Monte Carlo for fermion-boson lattice models: Improved bosonic estimators and application to the Holstein model
Physical review / B 94(24), 245138 (2016) [10.1103/PhysRevB.94.245138]
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Thermodynamic and spectral properties of adiabatic Peierls chains
Physical review / B 94(15), 155150 (2016) [10.1103/PhysRevB.94.155150]
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Generation of attosecond electron bunches in a laser-plasma accelerator using a plasma density upramp
Nuclear instruments & methods in physics research / A 829, 33 - 36 (2016) [10.1016/j.nima.2016.01.003]
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Induced Hyperon-Nucleon-Nucleon Interactions and the Hyperon Puzzle
Physical review letters 117(18), 182501 (2016) [10.1103/PhysRevLett.117.182501]
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Electron beam manipulation, injection and acceleration in plasma wakefield accelerators by optically generated plasma density spikes
Nuclear instruments & methods in physics research / A 829, 83 - 87 (2016) [10.1016/j.nima.2016.02.027]
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Studying the Effect of Shock Obliquity on the γ-ray and Diffuse Radio Emission in Galaxy Clusters
Galaxies 4(4), 71 - (2016) [10.3390/galaxies4040071]
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Generation of highly inclined protoplanetary discs through single stellar flybys
Monthly notices of the Royal Astronomical Society 455(3), 3086 - 3100 (2016) [10.1093/mnras/stv2514]
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On the formation of a quasi-stationary twisted disc after a tidal disruption event
Monthly notices of the Royal Astronomical Society 463(2), 2242 - 2264 (2016) [10.1093/mnras/stw2130]
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Experimental observation of attosecond control over relativistic electron bunches with two-colour fields
Nature photonics 11(1), 32 - 35 (2016) [10.1038/nphoton.2016.239]
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Contribution to a conference proceedings
Hierarchical Modelling of High-Molecular Weight Polymer Melts: From Soft Blobs to Microscopic Description
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 2016
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 261-270 (2016)
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Quantum Domain Walls Induce Incommensurate Supersolid Phase on the Anisotropic Triangular Lattice
Physical review letters 117(19), 193201 (2016) [10.1103/PhysRevLett.117.193201]
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Unstructured-grid model for the North Sea and Baltic Sea: Validation against observations
Ocean modelling online 97, 91 - 108 (2016) [10.1016/j.ocemod.2015.11.009]
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Dilute Semiflexible Polymers with Attraction: Collapse, Folding and Aggregation
Polymers 8(9), 333 - (2016) [10.3390/polym8090333]
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Solution-based intramolecular singlet fission in cross-conjugated pentacene dimers
Nanoscale 8(19), 10113 - 10123 (2016) [10.1039/C6NR02493A]
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