Early Access Call – Publications


Excess proton at water/hydrophobic interfaces: A Car-Parrinello MD study,

Project leader: Paolo Carloni, Full Professor, German Research School for Simulation Sciences and RWTH Aachen University, Germany
Research field: Medicine and Life Sciences

Publications:

  • Chao Zhang and Paolo Carloni, ” Salt effects on water/hydrophobic liquid interfaces: a molecular dynamics study”, J. Phys.: Condens. Matter. 2012, 24: 124109.
  • Chao Zhang, Denis Knyazev, Yana Vereshchaga, Emiliano Ippoliti, Trung Hai Nguyen, Paolo Carloni and Peter Pohl, “Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion”, Proc. Natl. Acad. Sci. USA, 2012, 109: 9744.

Theses:

  • Chao Zhang, Doctoral Candidate, RWTH Aachen University. Thesis title “Monovalent monatomic ions in biological environments: Insights from computational biophysics studies”

Invited Talks:

  • Paolo Carloni, CECAM worshop “Liquid/Solid interfaces: Structure and Dynamics from Spectroscopy and Simulations”, Lausanne, June 27 – 29, 2011.
  • Chao Zhang, CPMD 2011 conference “Extending the limits of Ab initio Molecular Dynamics Simulations for Materials Science and Biophysics”, Barcelona, September 5-9, 2011.
  • Chao Zhang, “How does long-range and fast proton lateral diffusion happen at water/hydrophobic interface?”, Institute of Biophysics, University of Linz, Austria, March 20, 2012.
  • Emiliano Ippoliti, “An ab initio large scale computational study of protons at biological hydrophobic interfaces”, University of Buenos Aires, December 13, 2012

Plasmoid Dynamics in Magnetic Reconnection

Project leader: Nuno F. Loureiro, Instituto de plasmas e Fusão Nuclear, Instituto Superior Técnico, Lisboa, Portugal
Research field: Astrophysics

Publications:

  • N. F. Loureiro, R. Samtaney, A. A. Schekochihin and D. A. Uzdensky. “Magnetic Reconnection and Stochastic Plasmoid Chains in high-Lundquist Number Plasmas”. Physics of Plasmas 19, 042303 (2012) [Arxiv:1108.4040 (2011)]
  • N. F. Loureiro, A.A. Schekochihin and A. Zocco, “Fast Collisionless Reconnection and Electron Heating in Strongly Magnetized Plasmas”, Physical Review Letters 111, 025002 (2013)
  • N. F. Loureiro, A. A. Schekochihin and D. A. Uzdensky. “Plasmoid and Kelvin-Helmholtz instabilities in Sweet-Parker current sheets”, Physical Review E 87, 013102 (2013) [Arxiv:1208.0966 (2012)]

Theses:

  • Antoine Riols investigated particle acceleration in 3D magnetic reconnection sites at high Lundquist numbers. Publication in preparation.

Invited talks:

  • International Astrophysics Forum (IAFA), June 2011
  • Symposium on Plasma Astrophysics, German Physical Society Spring Meeting, Jena, Germany, February 2013
  • The future of plasma astrophysics: combining experiments, observations, simulations and theory, Centre de Physique des Houches, France (2013)
  • Dynamo iGdR meeting, Sept. 2011
  • 53rd Meeting of the Division of Plasma Physics of the American Physical Society, Nov. 2011
  • European Geophysical Union General Assembly 2012
  • King Abdulah University of Science and Technology, Feb. 2011
  • Wolfgang Pauli Institute, University of Vienna, Mar. 2011
  • University of Oxford, Aug. 2011
  • University of Colorado at Boulder, Nov. 2011

QCD simulations for flavor physics in the Standard Model and beyond

Project leader: S. Simula, INFN, Sezione di Roma III, Italy
Research field: Fundamental Physics

Theses:

  • N. Carrasco (Univ. Valencia) and E. Picca (Univ. of Roma Tre) on the determination of the bag parameters of the kaon both in the Standard Model and beyond;
  • F. Sanfilippo (LPT-Orsay), L. Riggio (Univ. of Roma Tre) and P. Lami (Univ. of Roma Tre) on the determination of quark masses (u/d, strange and charm);
  • D. Palao (Univ. of Roma Tor Vergata) on the determination of the D->pi semileptonic form factors.

Publications:

  • N. Carrasco, V. Gimenez, P. Dimopoulos, R. Frezzotti, D. Palao, G.C. Rossi, V. Lubicz, M. Papinutto, F. Sanfilippo, S. Simula, “K0-barK0 mixing in the Standard Model from Nf=2+1+1 Twisted Mass Lattice QCD”, Pos (Lattice 2011) 276; arXiv 1111.1262.
  • B. Blossier, M. Brinet, N. Carrasco, P. Dimopoulos, X. Du, R. Frezzotti, V. Gimenez, G. Herdoiza, K. Jansen, V. Lubicz, D. Palao, E. Pallante, O. Pene, K. Petrov, S. Reker, G. Rossi, F. Sanfilippo, S. Simula, L. Scrozato, C. Urbach [ETM Collaboration], “Renormalisation constants of quark bilinears in lattice QCD with four dynamical Wilson quarks”, Pos (Lattice 2011) 233; arXiv:1112.1540.

Talks:

  • V. Lubicz: “Lattice QCD 2011”, XXV International Symposium on Lepton Photon Interactions at High Energies, August 22-27, 2011,Tata Institute of Fundamental Research, Mumbai (India)
  • N. Carrasco: “K0-barK0 mixing in the Standard Model from Nf=2+1+1 Twisted Mass Lattice QCD”, The XXIX International Symposium on Lattice Field Theory – Lattice 2011, July 10-16, 2011, Squaw Valley, Lake Tahoe, California (USA)
  • D. Palao: “Renormalisation constants of quark bilinears in lattice QCD with four dynamical Wilson quarks”, The XXIX International Symposium on Lattice Field Theory – Lattice 2011, July 10-16, 2011, Squaw Valley, Lake Tahoe, California (USA).

Parallel space-time approach to turbulence: computation of unstable periodic orbits and the dynamical zeta function

Project leader: Prof. Peter V. Coveney, Centre for Computational Science, Chemistry Department, University College of London, UK
Research field: Maths & Computer Sciences

Publications:

  • B. M. Boghosian, A. Brown, J. Lätt, J. Tam, H. Tang, L. M. Fazendeiro and P. V. Coveney, “New variational principles for locating periodic orbits of differential equations”, Accepted for publication by Phil. Trans. R. Soc. A, 2011.

Theses:

  • Luis A. M. Fazendeiro, “Unstable Periodic Orbits in Turbulent Hydrodynamics”, Ph.D. Thesis, “University College London, 2010.

Invited talks:

  • “Real science at the petascale”, presentation at the CCP5 workshop in Daresbury, UK on the 2nd of December.
  • “HYPO4D: A Space-Time Paralleli
    zed Solver for Finding Unstable PeriodicOrbits in Turbulent Flow”, presentation at the PCMTMP conference, Palestine on 17th of July 2012.

Ab initio Simulations of Turbulence in Fusion Plasmas

Project leader: Prof. Dr. Frank Jenko, Max-Planck-Institut für Plasmaphysik, Germany
Research field: Engineering and Energy

Publications:

  • A. Bañon Navarro, P. Morel, M. Albrecht-Marc, F. Merz, T. Görler, F. Jenko and D. Carati, Free energy cascade in gyrokinetic turbulence , Physical Review Letters 106, 055001 (2011)
  • T. Görler, X. Lapillonne, S. Brunner, T. Dannert, F. Jenko, S. Kosh Aghdam, P. Marcus, B.F. McMillan, F. Merz, O. Sauter, D. Told and L. Villard, Flux- and gradient-driven global gyrokinetic simulation of tokamak turbulence , Physics of Plasmas 18, 056103 (2011)
  • F. Jenko et al., Global and local gyrokinetic simulations of high-performance discharges in view of ITER, submitted to Nuclear Fusion

Theses:

  • Daniel Told, Gyrokinetic microturbulence in transport barriers , PhD thesis, University of Ulm (2012)

Invited talks:

  • F. Jenko, Towards multiscale gyrokinetic simulations of ITER-like plasmas , 23rd IAEA Fusion Energy Conference, Daejeon, Republic of Korea, 2010
  • T. Görler, Flux- and gradient-driven global gyrokinetic simulation of tokamak turbulence , Meeting of the American Physical Society (Division of Plasma Physics), Chicago, USA, 2010
  • T. Görler, Multiskaleneffekte in Plasmaturbulenzen vom Elektronengyroradius zur Gefäßgröße , Hauptvortrag bei der Frühjahrstagung der Deutschen Physikalischen Gesellschaft (Fachbereich Plasmaphysik), Kiel, Deutschland, 2011
  • F. Jenko, Developing a predictive capability for tokamaks and stellarators , Meeting of the European Physical Society (Division of Plasma Physics), Strasbourg, France, 2011
  • F. Jenko, 2012 IAEA Fusion Energy Conference at San Diego, USA

A dislocation dynamics study of dislocation cell formation and interaction between a low angle grain boundary and an in-coming dislocation

Project leader: Dierk Raabe, Prof. Dr., Max-Planck-Institut für Eisenforschung, Germany
Research field: Engineering and Energy

Publications:

  • B. Liu, P. Eisenlohr, F. Roters, D. Raabe: Acta Materialia 60 (2012) 5380–5390Simulation of dislocation penetration through a general low-angle grain boundary
  • B. Liu, D. Raabe, P. Eisenlohr, F. Roters, A. Arsenlis, G. Hommes: Acta Materialia 59, (2011) 7125-7134Dislocation interactions and low-angle grain boundary strengthening

Theses:

  • Ph.D. candidate on the project: Master-Sc. Bing LiuDiscrete dislocation dynamics simulations of dislocation-low angle grain boundary interactions”1st examiner: Prof. Raabe (MPI Düsseldorf / RWTH Aachen); 2nd examiner: Prof. Gottstein (RWTH Aachen)Date of examination: 21. August 2012 at RWTH Aachen, Germany

Talks:

  • B. Liu, D. Raabe, F. Roters’Discrete Dislocation Dynamics Simulation of High Temperature Creep inNickel-based Single Crystal Superalloys’ (Vortrag), MMM2012, 6th InternationalConference on Multiscale Materials Modeling, October 15 – 19, Singapore

Share: Share on LinkedInTweet about this on TwitterShare on FacebookShare on Google+Email this to someone