@inproceedings{238,
  abstract     = {{In this paper, we study how binary applications can be transparently accelerated with novel heterogeneous computing resources without requiring any manual porting or developer-provided hints. Our work is based on Binary Acceleration At Runtime (BAAR), our previously introduced binary acceleration mechanism that uses the LLVM Compiler Infrastructure. BAAR is designed as a client-server architecture. The client runs the program to be accelerated in an environment, which allows program analysis and profiling and identifies and extracts suitable program parts to be offloaded. The server compiles and optimizes these offloaded program parts for the accelerator and offers access to these functions to the client with a remote procedure call (RPC) interface. Our previous work proved the feasibility of our approach, but also showed that communication time and overheads limit the granularity of functions that can be meaningfully offloaded. In this work, we motivate the importance of a lightweight, high-performance communication between server and client and present a communication mechanism based on the Message Passing Interface (MPI). We evaluate our approach by using an Intel Xeon Phi 5110P as the acceleration target and show that the communication overhead can be reduced from 40% to 10%, thus enabling even small hotspots to benefit from offloading to an accelerator.}},
  author       = {{Damschen, Marvin and Riebler, Heinrich and Vaz, Gavin Francis and Plessl, Christian}},
  booktitle    = {{Proceedings of the 2015 Conference on Design, Automation and Test in Europe (DATE)}},
  pages        = {{1078--1083}},
  publisher    = {{EDA Consortium / IEEE}},
  title        = {{{Transparent offloading of computational hotspots from binary code to Xeon Phi}}},
  doi          = {{10.7873/DATE.2015.1124}},
  year         = {{2015}},
}

@article{1775,
  abstract     = {{The ATLAS experiment at CERN is planning full deployment of a new unified optical link technology for connecting detector front end electronics on the timescale of the LHC Run 4 (2025). It is estimated that roughly 8000 GBT (GigaBit Transceiver) links, with transfer rates up to 10.24 Gbps, will replace existing links used for readout, detector control and distribution of timing and trigger information. A new class of devices will be needed to interface many GBT links to the rest of the trigger, data-acquisition and detector control systems. In this paper FELIX (Front End LInk eXchange) is presented, a PC-based device to route data from and to multiple GBT links via a high-performance general purpose network capable of a total throughput up to O(20 Tbps). FELIX implies architectural changes to the ATLAS data acquisition system, such as the use of industry standard COTS components early in the DAQ chain. Additionally the design and implementation of a FELIX demonstration platform is presented and hardware and software aspects will be discussed.}},
  author       = {{Anderson, J and Borga, A and Boterenbrood, H and Chen, H and Chen, K and Drake, G and Francis, D and Gorini, B and Lanni, F and Lehmann Miotto, G and Levinson, L and Narevicius, J and Plessl, Christian and Roich, A and Ryu, S and Schreuder, F and Schumacher, Jörn and Vandelli, Wainer and Vermeulen, J and Zhang, J}},
  journal      = {{Journal of Physics: Conference Series}},
  publisher    = {{IOP Publishing}},
  title        = {{{FELIX: a High-Throughput Network Approach for Interfacing to Front End Electronics for ATLAS Upgrades}}},
  doi          = {{10.1088/1742-6596/664/8/082050}},
  volume       = {{664}},
  year         = {{2015}},
}

@article{10030,
  abstract     = {{The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional perturbation theory in order to obtain the complete phonon dispersion of the material. The phonon density of states of the ferroelectric (paraelectric) phase shows two (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches from the continuum of acoustic and lower optical phonon states. This result leads to specific heat capacites in close agreement with experimental measurements in the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence on the phonon wave vectors, especially near Γ. Integrated over all phonon modes, our results indicate a vibrational correction of the electronic band gap of 0.41 eV at 0 K, which is in excellent agreement with the extrapolated temperature-dependent measurements.}},
  author       = {{Friedrich, Michael and Riefer, Arthur and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}},
  issn         = {{1361-648X}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{38}},
  publisher    = {{IOP Publishing}},
  title        = {{{Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory}}},
  doi          = {{10.1088/0953-8984/27/38/385402}},
  volume       = {{27}},
  year         = {{2015}},
}

@article{13493,
  author       = {{Müllegger, Stefan and Rauls, Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber, Stefan and Schmidt, Wolf Gero and Koch, Reinhold}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{22}},
  title        = {{{Mechanism for nuclear and electron spin excitation by radio frequency current}}},
  doi          = {{10.1103/physrevb.92.220418}},
  volume       = {{92}},
  year         = {{2015}},
}

@article{13496,
  author       = {{Edler, F. and Miccoli, I. and Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero and Tegenkamp, C.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{8}},
  title        = {{{Interwire coupling forIn(4×1)/Si(111) probed by surface transport}}},
  doi          = {{10.1103/physrevb.92.085426}},
  volume       = {{92}},
  year         = {{2015}},
}

@article{13495,
  author       = {{Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{260--265}},
  title        = {{{Diindenoperylene adsorption on Cu(111) studied with density-functional theory}}},
  doi          = {{10.1016/j.susc.2015.03.007}},
  year         = {{2015}},
}

@article{13494,
  author       = {{Aldahhak, Hazem and Schmidt, Wolf Gero and Rauls, E.}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{278--281}},
  title        = {{{Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces}}},
  doi          = {{10.1016/j.susc.2015.01.013}},
  year         = {{2015}},
}

@article{13502,
  author       = {{Klein, C. and Vollmers, N. J. and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H. and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{19}},
  title        = {{{Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films}}},
  doi          = {{10.1103/physrevb.91.195441}},
  volume       = {{91}},
  year         = {{2015}},
}

@article{13504,
  author       = {{Sanna, S. and Dues, C. and Schmidt, Wolf Gero}},
  issn         = {{0927-0256}},
  journal      = {{Computational Materials Science}},
  pages        = {{145--150}},
  title        = {{{Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles}}},
  doi          = {{10.1016/j.commatsci.2015.03.025}},
  volume       = {{103}},
  year         = {{2015}},
}

@article{13500,
  author       = {{Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{6481--6491}},
  title        = {{{Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}}},
  doi          = {{10.1021/acs.jpcb.5b03615}},
  volume       = {{119}},
  year         = {{2015}},
}

@article{13507,
  author       = {{Landmann, M. and Rauls, E. and Schmidt, Wolf Gero and Neumann, M. D. and Speiser, E. and Esser, N.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{GaNm-plane: Atomic structure, surface bands, and optical response}}},
  doi          = {{10.1103/physrevb.91.035302}},
  volume       = {{91}},
  year         = {{2015}},
}

@article{13498,
  author       = {{Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}},
  issn         = {{0192-8651}},
  journal      = {{Journal of Computational Chemistry}},
  number       = {{21-22}},
  pages        = {{1672--1685}},
  title        = {{{The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}}},
  doi          = {{10.1002/jcc.23983}},
  volume       = {{36}},
  year         = {{2015}},
}

@article{13497,
  author       = {{Baghbanpourasl, Amirreza and Schmidt, Wolf Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld, Peter and Hingerl, Kurt}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{231--236}},
  title        = {{{Water adsorbate influence on the Cu(110) surface optical response}}},
  doi          = {{10.1016/j.susc.2015.07.020}},
  volume       = {{641}},
  year         = {{2015}},
}

@article{22946,
  abstract     = {{The Kane–Mele model was previously used to describe effective spin–orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of $\text{mod}(2n+m,3)$ .}},
  author       = {{Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{44}},
  title        = {{{Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}}},
  doi          = {{10.1088/0953-8984/27/44/445501}},
  volume       = {{27}},
  year         = {{2015}},
}

@article{13922,
  author       = {{Liu, Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and Meier, Torsten}},
  issn         = {{0953-8984}},
  journal      = {{Journal of Physics: Condensed Matter}},
  number       = {{44}},
  title        = {{{Curvature effects in the band structure of carbon nanotubes including spin–orbit coupling}}},
  doi          = {{10.1088/0953-8984/27/44/445501}},
  volume       = {{27}},
  year         = {{2015}},
}

@article{15860,
  author       = {{Denis, Jean-Christophe and Schumacher, Stefan and Hedley, Gordon J. and Ruseckas, Arvydas and Morawska, Paulina O. and Wang, Yue and Allard, Sybille and Scherf, Ullrich and Turnbull, Graham A. and Samuel, Ifor D. W. and Galbraith, Ian}},
  issn         = {{1932-7447}},
  journal      = {{The Journal of Physical Chemistry C}},
  pages        = {{9734--9744}},
  title        = {{{Subpicosecond Exciton Dynamics in Polyfluorene Films from Experiment and Microscopic Theory}}},
  doi          = {{10.1021/acs.jpcc.5b00680}},
  year         = {{2015}},
}

@article{15858,
  author       = {{Tse, Y C and Chan, Chris K P and Luk, M H and Kwong, N H and Leung, P T and Binder, R and Schumacher, Stefan}},
  issn         = {{1367-2630}},
  journal      = {{New Journal of Physics}},
  title        = {{{A population-competition model for analyzing transverse optical patterns including optical control and structural anisotropy}}},
  doi          = {{10.1088/1367-2630/17/8/083054}},
  year         = {{2015}},
}

@article{15857,
  author       = {{Di Nuzzo, Daniele and Fontanesi, Claudio and Jones, Rebecca and Allard, Sybille and Dumsch, Ines and Scherf, Ullrich and von Hauff, Elizabeth and Schumacher, Stefan and Da Como, Enrico}},
  issn         = {{2041-1723}},
  journal      = {{Nature Communications}},
  title        = {{{How intermolecular geometrical disorder affects the molecular doping of donor–acceptor copolymers}}},
  doi          = {{10.1038/ncomms7460}},
  year         = {{2015}},
}

@article{15859,
  author       = {{Schmutzler, Johannes and Lewandowski, Przemyslaw and Aßmann, Marc and Niemietz, Dominik and Schumacher, Stefan and Kamp, Martin and Schneider, Christian and Höfling, Sven and Bayer, Manfred}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{All-optical flow control of a polariton condensate using nonresonant excitation}}},
  doi          = {{10.1103/physrevb.91.195308}},
  year         = {{2015}},
}

@article{13818,
  author       = {{Neuba, Adam and Rohrmüller, Martin and Hölscher, Rebecca and Schmidt, Wolf Gero and Henkel, Gerald}},
  issn         = {{0020-1693}},
  journal      = {{Inorganica Chimica Acta}},
  pages        = {{225--238}},
  title        = {{{A panel of peralkylated sulfur–guanidine type bases: Novel pro-ligands for use in biomimetic coordination chemistry}}},
  doi          = {{10.1016/j.ica.2015.03.015}},
  volume       = {{430}},
  year         = {{2015}},
}