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NIC Symposium 2014

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Poster Session

Please send a PDF-file of your poster to nic-redaktion@fz-juelich.de and we will publish it here.


Earth and Environment


Computational Soft Matter Science


Computational Biology and Biophysics

  •  Water@surface: Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments (PDF, 8 MB)

    C. Zhang, T. D. Kühne

  • Molecular Insights into Binding of Oxazolidinone Antibiotics to the Large Ribosomal Subunit

    J. S. Saini, N. Homeyer, S. Fulle, H. Gohlke

  • How Tertiary Interactions between the L2 and L3 Loops Affect the Dynamics of the Distant Ligand Binding Site in the Guanine Sensing Riboswitch

    C. A. Hanke, H. Gohlke

  • The Ripple Effect: Connecting a Single Mutation in Integrin αIIbβ3 with an Increased Tendency for Myocardial Infarction

    G. Pagani, N. Homeyer, V. R. Stoldt, R. E. Scharf, H. Gohlke

  • Anion Permeation through Excitatory Amino Acid Transporters

    J.-P. Machtens, D. Kortzak , C. Lansche, A. Leinenweber, P. Kilian, B. Begemann, U. Zachariae, D. Ewers, B. L. de Groot, R. Briones , C. Fahlke

  • A General Approach for the Study of Protein Dynamics Using Mesoscale Simulations

    S. Poblete, R. G. Winkler, G. Gompper

  • Ab InitioMonte Carlo Folding of the Designed 92-Residue Alpha+Beta Protein TOP7

    O. Zimmermann, J. H. Meinke, S. Mohanty

  •  Structural Prediction of the Disordered N-Terminal Domain of the Prion Protein: Role of Prion Disease-Linked Mutations (PDF, 8 MB)

    X. Cong, N. Casiraghi, G. Rossetti, S. Mohanty, G. Giachin, G. Legname, P. Carloni

  • Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer

    J. Li, G. Rossetti, J. Dreyer, S. Raugei, E. Ippoliti, B. Lüscher, P. Carloni

Chemisty

  • Molecular Dynamics Simulations of Solid-Liquid Interfaces and Nanometer Sized Droplets Evaporation

    J. Zhang, F. Leroy, F. Müller-Plathe

  • Dynamical Simulation of Electron Transfer Processes in Self-Assembled Monolayers Adsorbed at the Au(111) Surface

    P. B. Coto, V. Prucker, Ó. Rubio-Pons, M. Bockstedte, H. Wang, M. Thoss

  • A DFT Study on the Oxidative Dehydrogenation of Methanol on Ceria-Supported Vanadia Catalysts

    T. Kropp, C. Penschke, X. Li, J. Paier, J. Sauer

  • Ultrafast Energy Transfer to Liquid Water by Short and Intense THz Pulses

    P. K. Mishra, O. Vendrell, R. Santra

  •  TRAVIS - Infrared and Raman Spectra From Ab Initio Molecular Dynamics (PDF, 3 MB)

    M. Brehm, M. Thomas, B. Kirchner

  • Dynamics at a Janus Interface

    M. von Domaros


Materials Science


Fluid Mechanics


Condensed Matter

  •  Spatial and Temporal Propagation of Kondo Correlations (PDF, 1 MB)

    B. Lechtenberg, F. B. Anders

  • Singular Density of States and Frozen Multifractality in Graphene with Vacancy Disorder

    N. Weik, T. Mayer, V. Haefner, M. Walz, F. Evers

  •  Correlated Electron States in Realistic Oxide Heterostructures (PDF, 5 MB)

    F. Lechermann, L. Boehnke, D. Grieger, C. Piefke

  • Energy Dissipation of Moved Magnetic Vortices

    M. P. Magiera, D. E. Wolf

  • Localization Length Critical Index in a Random Network Model for the Quantum Hall Effect

    W. Nuding, A. Klümper, A. Sedrakyan

  • Structures and Properties of Noble Metal Nanowires on Semiconductors: Si(111)‑(5x2)-Au Surface

    K. Seino, F. Bechstedt

  • Multicanonical Analysis of the Gonihedric Ising Model: Non-Standard Scaling Behavior of First-Order Phase Transition

    M. Mueller, W. Janke, D. A. Johnston

  • Electron Traps at the Ice Surface

    M. Bockstedte, A. Michl

  • Light Propagation in Silicon-Based Thin-Film Solar Cells Investigated by Near-Field Microscopy and Rigorous Optical Simulation

    M. Ermes, A. Hoffmann, S. Lehnen, R. Carius, K. Bittkau

  • Towards Steady-State Transport through a Quantum Dot at Finite Bias

    T. Treffon, E. Canovi, A. Moreno, A. Muramatsu


Elementary Particle Physics

  •  Maximally Twisted Mass Lattice QCD Calculations at the Physical Point (PDF, 440 kB)

    A. Abdel-Rehim, C. Alexandrou, Ph. Boucaud, F. Burger, N. Carrasco, M. Constantinou, A. Deuzeman, P. Dimopoulos, V. Drach, X. Feng, R. Frezzotti, G. Herdoiza, G. Hotzel, K. Jansen, C. Kallidonis, B. Kostrzewa, G. Koutsou, M. Mangin-Brinet, I. Montvay, D. Palao, M. Petschlies, G.C. Rossi, F. Sanfilippo, L. Scorzato, A. Shindler, C. Urbach, U. Wenger

  •  SU(3) Flavor Symmetry Breaking and Open Charm States (PDF, 546 kB)

    R. Horsley, Y. Nakamura, D. Pleiter, P. E. L. Rakow, G. Schierholz, J. Zanotti

  • More Results on Finite Temperature QCD with Wilson Fermions

    S. Borsányi, S. Dürr, Z. Fodor, C. Hoelbling, S. D. Katz, S. Krieg, D. Nógrádi, K. K. Szabó, B. C. Tóth, N. Trombitás

  • Kaon Physics on the Lattice

    A. Burell, S. Dürr, Z. Fodor, C. Hoelbling, S. D. Katz, S. Krieg, T. Kurth, L. Lellouch, T. Lippert, A. Ramos, A. Schäfer, E. E. Scholz, K.K. Szabo, G. Vulvert

  • Charmed Baryon Spectroscopy

    G. Bali, S. Collings, S. Dürr, B. Glaessle, I. Kanamori, C. McNeile, P. Perez-Rubio

  • What is the Temperature in Heavy Ion Collisions at Freeze-Out?

    Sz. Borsanyi, Z. Fodor, S. D. Katz, S. Krieg, C. Ratti, K. K. Szabo

  •  Leading-Order Hadronic Contributions to the Muon Anomalous Magnetic Moment (PDF, 382 kB)

    Z. Fodor, E. B. Gregory, C. Hoelbling, S. Krieg, L. Lellouch, R. Malak, C. McNeile, A. Sastre, K. Szabo


Astrophysics


Computational Plasma Physics


Computer Science and Numerical Mathematics

  • Scalability Analysis and Efficient Implementation of Numerical Algorithms

    M. Korch, T. Rauber

  • Towards the Automatic Generation of Efficient Geometric Multigrid Solvers for Exascale Computing

    S. Kuckuk, S. Kronawitter, A. Grebhahn, C. Schmitt, H. Rittich, H. Köstler

  •  Hierarchical Hybrid Multigrid Solver for the Stokes System (PDF, 6 MB)

    H. Stengel, M. Huber, B. Gmeiner, U. Rüde


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