3rd Project Access Call – Publications

Find below the publications related to projects awarded in the PRACE 3rd Regular Call.


Pushing the Strong Interaction past its Breaking Point: QCD in the quark-gluon plasma phase

Project leader: Chris Allton, Swansea University, UK
Research field: Fundamental Physics

Publications:

  • G. Aarts, C. Allton, S. Kim, M. P. Lombardo, M. B. Oktay, S. M. Ryan, D. K. Sinclair and J. I. Skullerud, “What happens to the Upsilon and eta_b in the quark-gluon plasma? Bottomonium spectral functions from lattice QCD’’, JHEP 1111 (2011) 103 [arXiv:1109.4496 [hep-lat]].
  • G. Aarts, C. Allton, S. Kim, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D.K. Sinclair, J.I. Skullerud,”S wave bottomonium states moving in a quark-gluon plasma from lattice NRQCD”, JHEP 1303 (2013) 084 [arXiv:1210.2903 [hep-lat]]
  • G. Aarts, C. Allton, S. Kim, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D.K. Sinclair, J.I. Skullerud,”The Melting of the P-wave states from the lattice”, in preparation.
  • A. Kelly, D. Mehta, M.B. Oktay, J.I. Skullerud, “Heavy quark diffusion in the quark-gluon plasma from lattice QCD”, in preparation.
  • G. Aarts, C. Allton, S. Kim, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D. Sinclair, J.I. Skullerud,”Bottomonium above deconfinement from lattice non-relativistic QCD”,Aip Conf. Proc. 1441 (2012) 910.
  • S. Kim, G.Aarts, C. Allton, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D.K. Sinclair, J.I. Skullerud,”Two topics from lattice NRQCD at non-zero temperature: heavy quark mass dependence and S-wave bottomonium states moving in a thermal bath”,PoS LATTICE2012 (2012) 086 [arXiv:1210.7586 [hep-lat]].
  • G. Aarts, C. Allton, A. Kelly, J.I. Skullerud, S. Kim, T. Harris, S.M. Ryan, M.P. Lombardo, M.B. Oktay, D.K. Sinclair,”Bottomonium from lattice QCD as a probe of the Quark-Gluon Plasma”J.Phys.Conf.Ser. 432 (2013) 012014 [arXiv:1212.4368 [hep-lat]].
  • C. Allton, W. Evans, J.I. Skullerud,”Charmonium potentials at finite temperature”,PoS LATTICE2012 (2012) 082 [arXiv:1306.3140 [hep-lat]].
  • P.W.M. Evans, C.R. Allton, J.I. Skullerud,”Ab Initio Calculation of Finite Temperature Charmonium Potentials”,[arXiv:1303.5331 [hep-lat]]
  • A. Amato, G. Aarts, C. Allton, P. Giudice, S. Hands, J.I. Skullerud,”Electrical conductivity of the quark-gluon plasma across the deconfinement transition”,submitted for publication in Phys. Rev. Lett. [arXiv:1307.6763 [hep-lat]]

Theses:

  • Phillip Wynne Evans (Swansea University)
  • Alessandro Amato (Swansea University)
  • Timothy Harris (Trinity College, Dublin)
  • Graham Moir (Trinity College, Dublin)
  • Aoife Kelly (National University of Ireland, Maynooth)
  • Seamus Cotter (National University of Ireland, Maynooth)

Talks:

  • “Quarkonia Spectral Functions and Potentials”, Chris Allton and Wynne Evans, talk at the Quarkonia in Decon?ned Matter Workshop, September 2011, Acitrezza, Italy.
  • “Two topics from lattice NRQCD at non-zero temperature: heavy quark mass dependence and S-wave bottomonium states moving in a thermal bath”, S. Kim, G. Aarts, C. Allton, S. Kim, M.P. Lombardo, M.B. Oktay, S.M Ryan, D.K. Sinclair, J.I. Skullerud, talk at Lattice 2012, the 30th International Lattice Symposium in Lattice Field Theory, Cairns, Australia, June 2012.
  • “Phase structure of QC2D at high temperature and density”, Jon-Ivar Skullerud, Seamus Cotter, Pietro Giudice, Simon Hands, Seyong Kim, talk at Lattice 2012, the 30th International Lattice Symposium in Lattice Field Theory, Cairns, Australia, June 2012.
  • “Charmonium Spectral Functions and Potentials”, Wynne Evans, Chris Allton, Jon-Ivar Skullerud, talk at Lattice 2012, the 30th International Lattice Symposium in Lattice Field Theory, Cairns, Australia, June 2012.
  • “Heavy quarks in the quark-gluon plasma”, J.I. Skullerud, talk at the Institute for Nuclear Theory Workshop, Gauge Field Dynamics in and out of Equilibrium, Seattle, 14 March 2012.
  • “Quarkonium from lattice nonrelativistic QCD as a probe of the Quark Gluon Plasma,’’, G. Aarts, C. Allton, A. Kelly, S. Kim, T. Harris, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D.K. Sinclair, J.-I. Skullerud, talk presented by M.P. Lombardo at XQCD, George Washington University, Washington, USA, August 21-23, 2012
  • First principles calculation of finite temperature charmonium potentials”, talk by C. Allton at the Strangeness in Quark Matter Conference, Birmingham, July 22 – 27, 2013
  • “Spectral functions of charmonium from 2 flavour anisotropic lattice data”, talk by A. Kelly at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013.
  • P wave bottomonium spectral functions in the QGP from lattice NRQCD”, talk by G. Aarts at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013
  • 2+1 flavour thermal studies on an anisotropic lattice”, talk by C. Allton at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013Bottomonium spectrum at finite temperature”, talk by T. Harris at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013
  • Bottomonium spectrum at finite temperature”, talk by T. Harris at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013
  • Charmonium Potentials at Non-Zero Temperature”, talk by W. Evans at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013
  • Transport Coefficients of the QGP”, talk by A. Amato at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013
  • Electric charge susceptibility in 2_1 flavour QCD on an anisotropic lattice”, Poster by P. Giudice at the International Lattice Symposium, Mainz, Germany, July 29 – August 3, 2013.

Invited talks:

  • “Complex Langevin dynamics and other approaches at ?nite chemical potential”, Gert Aarts, Invited Review at Lattice 2012, the 30th International Lattice Symposium in Lattice Field Theory, Cairns, Australia, June 2012.

Exploring unconventional order in a quantum spin liquid via large scale quantum Monte Carlo simulations

Project leader: Alejandro Muramatsu, University of Stuttgart, Germany
Research field: Chemistry and Material Sciences

Publications:

  • Thomas C. Lang, Zi Yang Meng, Michael M. Scherer, Stefan Uebelacker, Fakher F. Assaad, Alejandro Muramatsu, Carsten Honerkamp, Stefan Wessel, “Antiferromagnetism in the Hubbard Model on the Bernal-stacked Honeycomb Bilayer”, Phys. Rev. Lett. 109, 126402 (2012)
  • M. Hohenadler, Z. Y. Meng, T. C. Lang, S. Wessel, A. Muramatsu, F. F. Assaad, “Quantum phase transitions in the Kane-Mele-Hubbard model”, Phys. Rev. B 85, 115132 (2012)

Talks:

    • F. F. Assaad , “Phase diagram of the Hubbard-Honeycomb lattice”, Exotic Phases of Frustrated Magnets. KITP October 08, 2012 to October 12, 2012.
    • S. Wessel, “Quantum Monte Carlo Studies of graphene-like structures within the Hubbard-model-description”, CECAM-Workshop “Graphene: From band structure to many-body physics”, Bremen, October 2012.
    • A. Muramatsu, “Correlated fermions on graphene-like structures”, CECAM-Workshop “Graphene: From band structure to many-body physics”, Bremen, October 2012.

A. Muramatsu, “Correlated fermions on graphene-like lattices”, Institute of Physics, Beijing, June 27, 2012.


Validating QRPA microscopic calculations of radiative strengths for astrophysics

Project leader: Stéphane Hilaire, CEA/DAM/DIF, France
Research field: Fundamental Physics

Publications:

  • “Large scale QRPA calculations for dipole excitations based on a Gogny force”, AIP Conference Proceedings, “Nuclear Structure and Dynamics II”, Opatija (Croatie), pp 160-161, vol 1491 (2012).

Talks:

  • “Large Scale QRPA calculations for dipole excitations based on a Gogny force” presented at CIPANP 2012, Eleventh Conference on the Intersections of Particle and Nuclear Physics (St. Petersburg, Florida, USA, 28th of May – 1st of June 2012).
  • “Large Scale QRPA calculations for dipole excitations based on a Gogny force” presented at NSD II, Nuclear Structure and Dynamics II (Opatija, Croatia, 9th – 13th of July 2012).
  • Poster/talk accepted for the coming Nuclear Data ND2013 Conference in New-York.

Thermal Dilepton Rates and Electrical Conductivity in the Quark Gluon plasma

Project leader: Olaf Kaczmarek, University of Bielefeld, Germany
Research field: Fundamental Physics

Publications:

  • O.Kaczmarek et al., “Thermal dilepton rates from quenched lattice QCD”, PoSConfinementX (2012) 185, arXiv:1301.7436

Theses:

  • Mr. Marcel Müller is supposed to finish his Phd-Thesis in 2013 based on the results of this project.

Talks:

  • Confinement 2012, Munich, Germany, 07.-12. October 2012
  • QCD Structure I, Wuhan, China, 07.-20. October 2012
  • High Pt Physics at LHC, Wuhan, China, 21.-24. October 2012
  • Workshop heavy quark production, Utrecht, Netherlands, 14.-17. November 2012
  • EMMI Rapid Reaction Task Force on Fluctuations and Correlations, GSIDarmstadt, Germany, February 2013
  • ECT* Workshop Heavy quarks and quarkonia, Trento, Italy, 02.-05 April 2013
  • Lattice 2013, Mainz, Germany, 29.07.-03.08.2013

Pulsation: Peta scale mULti-gridS ocean-ATmosphere coupled simulatIONs

Project leader: Sebastien Masson, Univ. Pierre et Marie Curie, France
Research field: Earth Sciences & Environment

Publications:

  • S. Masson. Simulation multi-échelle du climat sur Curie. Bulletin d’information ORAP, numéro 72, juillet 2012.
  • S. Masson, C. Hourdin, R. Benshila, E. Maisonnave et Y. Meurdesoif, Les modèles climatiques gagent en précision. La Recherche, numéro 469, novembre 2012.
  • Our work was also cited in the scientific Blog of the French national newspaper”Liberation”: http://sciences.blogs.liberation.fr…

Talks:

  • S. Masson et al. Performance of a new IO server, Drakkar/MyOcean 2012 Annual Workshop. 30/1-1/2 2012 Grenoble, France
  • E. Maisonnave and al. Multiscale Coupled Modeling of the Tropical Atmosphere/Ocean. International Supercomputing Conference. June 17 – 21 2012. Hamburg, Germany.
  • S. Masson et al. Tropical Channel NEMO-OASIS-WRF Coupled simulations at very high resolution. WRF Summer Workshop 2012. June 25 – 29, 2012, Boulder, USA.
  • Frank Vigilant, Weather and climate simulations with BULL technology. Fifteenth ECMWF Workshop High Performance Computing in Meteorology, 1 – 5 October 2012, Reading, UK

Understanding baryon structure with QCD simulations with light, strange and charm dynamical quark flavours

Project leader: Constantia Alexandrou, University of Cyprus, Cyprus
Research field: Fundamental Physics

Publications:

  • C. Alexandrou, ’Hadron Structure and Lattice QCD’, arXiv:1208.5679, Aug. 2012.
  • C. Alexandrou et al., ’Strange and charm baryon masses with two avors of dynamical twisted mass fermions’, accepted in Phys. Rev. D

Theses:

  • Kyriacos Hatziyiannakou, 1rst year PhD student at the University of Cyprus
  • Christos Kallidonis, 1rst year PhD student at the University of Cyprus
  • Simon Dinter, final year PhD student at DESY-Zeuthen

Invited talks:

  • C. Alexandrou, International Workshop on Hadron Structure and Spectroscopy, Lisbon, 16-18 April 2012
  • C. Alexandrou, Keynote talk at the Eleventh Conference on the Intersections of Particle and Nuclear Physics (CIPANP 2012), 28 May -03 June 2012, St, Petersburg, FL, USA.
  • K. Jansen, Keynote talk at the Conference on Computational Physics 2012, Kobe, Japan, Oct. 2012.

Talks:

  • C. Alexandrou, Workshop on Lattice gauge theories, Galileo, Galilei Center for Theoretical Physics, Florence, 27 Aug.-21 Sept. 2012.
  • V. Drach, QNP2012, 16-20 April 2012, Paris.
  • V. Drach, Seminar, University of Bonn, 22 Nov. 2011.
  • V. Drach, Talk at Lattice 2012, Cairns, Australia.
  • A. Vaquero, Talk at Lattice 2012, Cairns, Australia.

Multicenter cobalt-oxo cores for catalytic water oxidation

Project leader: Simone Piccinin, CNR-IOM SISSA, Italy
Research field: Chemistry and Material Sciences

Publications:

  • X. L. Hu, S. Piccinin, A. Laio and S. Fabris, “Atomistic structure of Cobalt-Phosphate nanoparticles for catalytic water oxidation”, ACS Nano 6, 10497-10504 (2012)
  • S. Piccinin, A. Sartorel, G. Aquilanti, A. Goldoni, M. Bonchio and S. Fabris, “Water oxidation surface mechanisms replicated by a totally inorganic tetraruthenium-oxo molecular complex”, PNAS 110(13), 4917-4922 (2013)

Theses:

  • Changru Ma, “Modeling Ru-based molecular catalysts for water oxidation”, Ph.D. in Condensed Matter Physics, December 2012, International School for Advances Studies (SISSA), Trieste (Italy).

Talks:

  • “Firs
    t-principles modeling of electrochemical reactions for solar-to-fuel energy storage;” ICTP School on numerical methods for materials science related to renewable energy applications, Trieste (Italy), 26-30 Nov. 2012
  • “Ab-initio modeling of Ru-based homogeneous catalysts for water oxidation.;” ICTP School on numerical methods for materials science related to renewable energy applications, Trieste (Italy), 26-30 Nov. 2013
  • CECAM Conference “Energy from the sun: Computational chemists and physicists take up the challenge”, Chia (Italy), 10-14 Sept. 2012, “Ab-initio modeling of water oxidation catalysts: Ru4-POM and Co-Pi”.
  • MRS2012 Spring Meeting, San Francisco (USA) 9-13 April 2012, “Ab-initio modeling of Ru-based homogeneous catalysts for water oxidation”.

Protein effects on the structural and optical properties of biological chromophores: Quantum Monte Carlo / Molecular Mechanics calculations on Rhodopsin and Light Harvesting Complexes

Project leader: Leonardo Guidoni, Università degli Studi de L’Aquila, Italy
Research field: Chemistry and Material Sciences

Publications:

  • E. Coccia, D. Varsano, L. Guidoni. “Protein field effect on the dark state of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo / Molecular Mechanics”. J. Chem. Theory Comput., doi:10.1021/ct3007502, 2012
  • E. Coccia, L. Guidoni. “Quantum Monte Carlo study of the retinal minimal model C5H6NH2+”. J. Comput. Chem., vol. 33, p. 2332, 2012
  • E. Coccia, O. Chernomor, M. Barborini, S. Sorella, L. Guidoni. “Molecular electrical properties from Quantum Monte Carlo calculations: application to ethyne”. J. Chem. Theory Comput., vol. 8, p. 1952, 2012
  • M. Barborini, L. Guidoni. “Reaction pathways by Quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene”. J. Chem. Phys., vol. 137, p. 224309, 2012
  • M. Barborini, S. Sorella, L. Guidoni. “Structural optimization by Quantum Monte Carlo: investigating the low-lying excited states of Ethylene”. “. J. Chem. Theory Comput., vol. 8, p. 1260, 2012

Theses:

  • Olga Chernomor, Master in Mathematical Engineering, Univ. of L’Aquila, 2012.”Electronic Density Estimator by Quantum Monte Carlo”

Talks:

  • E. Coccia, “Quantum Monte Carlo/Molecular Mechanics: relaxed geometries of Retinal in gas phase and in Rhodopsin”, at the New QM/MM opportunities for in silico macromolecular spectroscopy workshop in Lyon (France), March 2012

Invited talks:

  • L. Guidoni, Conference on Computational Physics 2012: “Tackling the electron correlation in biomolecules by Quantum Monte Carlo / Molecular Mechanics”.

Gyrokinetic Large Eddy Simulations

Project leader: Bernard Knaepen, Université Libre de Bruxelles, Belgium
Research field: Maths & Computer Sciences

Publications:

  • B. Teaca, A. Banon Navarro, F. Jenko, S.Brunner, and L. Villard, “Locality properties of the free energy fluxes in gyrokinetic turbulence”, submitted to Physical Review Letters, May 2012http://arxiv.org/abs/1202.6160

Theses:

  • ALEJANDRO BANON NAVARRO, TITLE OF THE THESIS: GYROKINETIC LARGE EDDY SIMULATIONS

Talks:

  • A. Banon Navarro, D. Carati, T. Gorler, F. Jenko, and P. Morel, “Gyrokinetic Large Eddy Simulations”, Algorithms, Performance and Accuracy in Gyrokinetic codes, University of Warwick, UK, August 23, 2012.
  • A. Banon Navarro, M. Albrecht-Marc, D. Carati,
  • T. Gorler, D. R. Hatch, F Jenko, F. Merz, P. Morel, and B. Teaca,
  • On the modeling of sub-grid scale physics in gyrokinetic simulations, Gyrokinetic theory working group meeting,
  • CIEMAT, Madrid, Spain, June 18-29, 2012.

Joint Weather and Climate High-Resolution Global Modelling: Future Weathers and their Risks

Project leader: Pier Luigi Vidale, National Centre for Atmospheric Science, UK
Research field: Earth Sciences & Environment

Publications:

  • Berckmans, J., T. Woolings, M.-E. Demory, P.L. Vidale and M. Roberts, Atmospheric blocking in a high resolution climate model: influences of mean state, orography and eddy forcing, Atmospheric Science Letters (2012), in press.
  • E. Hawkins and P.L. Vidale, Meteorology: Counting the coming storms, Nature Climate Change 2 (2012), no. 8, 574–575.
  • B. Lloyd-Hughes, L.C. Shaffrey, P.L. Vidale, and N.W. Arnell, An evaluation of the spatiotemporal structure of large-scale european drought within the HiGEM climate model, International Journal of Climatology (2012), DOI: 10.1002/joc.3570
  • J. Strachan, P.L. Vidale, K.I. Hodges, MJ Roberts, and M.E. Demory, Investigating global tropicalcyclone activity with a hierarchy of AGCMs: the role of model resolution, Journal of Climate (2012),
  • R. Bell, J. Strachan, K. Hodges, and P.L. Vidale, Tropical cyclones and climate change in a highresolution general circulation model, Higem. J. Climate (2012), conditionally accepted
  • C. Van den Hoof, P.L. Vidale, A. Verhoef and C. Vincke: Improved Evaporative Flux Partitioning in the Land Surface Model JULES: Implications for Simulating Land Surface Processes in Temperate Europe, Agricultural and Forest Meteorology (2012), under review.
  • A. Dawson, A.J. Matthews, D.P. Stevens, M.J. Roberts, and P.L. Vidale, Importance of oceanicresolution and mean state on the extra-tropical response to el nino in a matrix of coupled models, Climate Dynamics (2012), 1–14, DOI 10.1007/s00382-012-1518-6
  • M. d. S. Custódio, R. P. da Rocha and P.L. Vidale (2012) Analysis of precipitation climatologysimulated by high resolution coupled global models over the South America, HydrologicalResearch Letters, doi: 10.3178/HRL.6.92
  • C. E. Holloway, S. J. Woolnough, G. M. S. Lister, (2012) The effects of explicit versus parameterized convection on the MJO in a large-domain high-resolution tropical case study. Part I: Characterization of large-scale organization and propagation. J. Atmos. Sci., in press. doi: http://dx.doi.org/10.1175/JAS-D-12-…
  • M.-E. Demory, Sensitivity of the Global Hydrological Cycle to Horizontal Resolution in anAtmospheric General Circulation Model, PhD thesis, University of Reading, 2012.
  • M.-E. Demory, P.L. Vidale, M. J. Roberts, P. Berrisford, J. Strachan, R. K. Schiemann, and M.Mizielinski The role of horizontal resolution in simulating drivers of the global hydrological cycle, Clim. Dynamics (2012), under review.
  • R. Schiemann, M.-E. Demory, L. Shaffrey, J. Strachan, P.L. Vidale, M. Mizielinski and M.J. R
    oberts, The sensitivity of the Walker Circulation and Maritime Continent

Theses:

  • Ms Jill Chamberlain, University of Reading (2012-2014), “Hurricane intensity in weather and climate models: the role of resolution”.
  • Dr. M.-E. Demory “Sensitivity of the Global Hydrological Cycle to Horizontal Resolution in an Atmospheric General Circulation Model”, PhD in Meteorology, Dec 2012

Talks:

  • “The hydrological cycle simulated by a high-resolution Global Climate Model”, P.L. Vidale
  • CUG 2012, Stuttgart (DE), March 2012: “Porting and optimisation of the Met Office Unified Model on PRACE architectures”, M. Mizielinski
  • Helsinki (FI), October 2012: PEEX EU-Russian Federation bi-lateral meeting. “UK Climate Modelling at the Petascale”, P.L. Vidale
  • Newton Institute: Met Office, Exeter (UK), Nov 2012: “Porting and optimisation of the Met Office Unified Model on Petascale architectures”, P.L. Vidale
  • IS-ENES2, Toulouse (FR), Jan 2013: “UPSCALE, Future Weathers and their Risks”, P.L. Vidale
  • Ministry of Earth Sciences, India: Monsoon and Changing Water Cycle workshops, Feb 2013, P.L. Vidale
  • “DECC Hot Topic”, The UK high resolution climate modelling: recent results, future perspectives and challenges. A presentation to DECC, Defra, DfID, FCO and GO-Science, Whitehall, London, 22/2/2013, P.L. Vidale and M. Roberts
  • 2012 PRACE Scientific Conference, Leipzig (DE): “Future weathers and their risks”, P.L. Vidale
  • Understanding and representing atmospheric convection across scales, Dartington Hall, UK, Jan 2013: “High resolution climate modelling research” P.L. Vidale and M. Roberts
  • Climate 2013, Berkeley CA, Mar 2013: High resolution climate modelling and HPC in the UK. M. Roberts
  • AMS, New Orleans, Jan 2012: Present and future climate variability as simulated in a hierarchy of model resolutions. M. Roberts and P.L. Vidale

Large-eddy simulations of stratified atmospheric turbulent flows with Meso-NH: application to safety in meteorology and environmental impact of aviation

Project leader: Roberto Paoli, CERFACS, France
Research field: Earth Sciences & Environment

Talks:

  • R. Paoli: Large-eddy simulations of contrail-to-cirrus transition in atmospheric turbulence, Annual Meeting of the American Physical Society, Division of Fluid Dynamics, S. Diego, CA, USA, 18-20 November 2012.
  • T. Bergot : Impact des bâtiments sur la formation du brouillard. Ateliers de modélisation de l’atmosphère, Toulouse, France, 21-25 January 2013.
  • A. Paci: Topographically induced waves in a pycnocline: internal solitary waves and trapped orographic waves in the Toulouse stratified water flume, European Geophysical Union General Assembly, Vienna, Austria, 7-12 April 2013.
  • J. Colin: ICAM 2013 – International Conference on Alpine Meteorology, Kranjska Gora, Slovenia, 3-7 June 2013.

Ligth quark mass dependence of two-hadron energies in Lattice QCD

Project leader: Assumpta Parreño, University of Barcelona, Spain
Research field: Fundamental Physics

Publications:

  • S.R.Beane et. al., “The I=2 pipi S-wave Scattering Phase Shift from Lattice QCD”, Physical Review D.85, 034505, 2012
  • S.R.Beane et. al., “SU(2) Low-Energy Constants from Mixed-Action Lattice QCD”, Physical Review D.86, 094509, 2012
  • S.R.Beane et. al., “The Deuteron and Exotic Two-Body Bound States from Lattice QCD”, Physical Review D.85, 054511, 2012
  • A. Parreno, “Binding two-baryons in Lattice QCD”, Nuclear Physics A.881, 14, 2012
  • S.R.Beane et. al., “Hyperon-Nucleon Interactions from Quantum Chromodynamics and the Composition of Dense Nuclear Matter “, Physical Review Letters 109, 172001, 2013
  • S.R.Beane et. al., “Light Nuclei and Hypernuclei from Quantum Chromodynamics in the Limit of SU(3) Flavor Symmetry”, Physical Review D, 2012

Talks:

  • LQCD calculations for hypernuclear physics, August 21, 2012, in Lattice QCD studies of excited resonances and multi-hadron systems, INT, Seattle.
  • LQCD calculations of hadronic interactions, October 23, 2012, in STRONGnet 2012 Workshop on Computational Hadron Physics, Madrid, Spain.
  • Nuclei from Lattice QCD, April 16, 2012.
  • Hyperon Nucleon Interactions from QCD and Dense Matter, June 2012, The 30th International Symposium on Lattice Field Theory, Cairns, Australia.
  • Nuclei, August 16, 2012, within the Workshop on Lattice QCD studies of excited resonances and multi-hadron systems, and October 2012, within the Workshop Light nuclei from first principles, INT, Seattle.
  • Hyperon Nucleon Interactions and Dense Matter, DNP meeting in Newport Beach, October 25, 2012.
  • Nuclear Physics and Lattice QCD, Michigan State University, April 4, 2012.
  • Nuclear Forces from Lattice QCD, Colloquium given by Martin J. Savage at the University of Bonn, Germany. April 27, 2012.
  • Nuclear Forces from Lattice QCD, Colloquium given by Martin J. Savage at TU Darmstadt, Germany. June 13, 2012.
  • Nuclear Forces from Lattice QCD, Colloquium given by Martin J. Savage at StonyBrook, USA. November 6, 2012.
  • Extreme Scale Computing Trilogy: Nuclear Physics, INT Summer School on Lattice QCD for Nuclear Physics. August 6 – 24, 2012.
  • Hypernuclei on a lattice, in 11th International Conference on Hypernuclear and Strange Particle Physics. Barcelona, Spain. October 1-5, 2012.
  • From Quarks to the Cosmos, MIT Faculty Colloquium by William Detmold, MIT, Nov 8th, 2012.
  • Nuclear Physics from Lattice QCD and EFT, Confinement X (10th Conference on Quark Confinement and the Hadron Spectrum), Munich, Oct 10th, 2012.
  • Few body systems in lattice QCD, Chiral Dynamics, Jefferson Lab, Aug 10th, 2012.
  • Few body systems in lattice QCD, Gordon Conference on Photonuclear Reactions, Holderness, NH, Aug 8th, 2012.
  • Hadron Interactions and Many-body Physics (5 lectures by William Detmold), INT Summer School on Lattice QCD for Nuclear Physics, Seattle, Aug 13th-15th, 2012
  • Bound states in Lattice QCD, APS Division of Nuclear Physics Annual Meeting, Newport Beach, Oct 27th, 2012.
  • From QCD to Nuclei, Seminar by W. Detmold, Ohio University, Dec 11th, 2012;
  • University of Adelaide, July 19th, 2012
  • The Standard Model of Nuclear Physics, Seminar by W. Detmold, Harvard University, Oct 2nd, 2012.
  • Ab Initio Nuclear Physics, Seminar by W. Detmold, MIT Feb 27th, 2012; University of Maryland Feb 22nd, 2012.

Invited talks:

  • Quark and Nuclear Physics, Paliaseau, Paris, France.

On the stability of ordinary matter and related issues

Project leader: Laurent Lellouch, CNRS (Institut de Physique) and Univ. Aix-Marseille II, France
Research field: Fundamental Physics

Publications:

  • S. Dürr et al. [Budapest-Marseille-Wuppertal collaboration], “Isospin splittings in the light quark and hadron spectra from lattice QCD+QED at the physical mass point,’’ in preparation.
  • A. Portelli et al. [Budapest-Marseille-Wuppertal collaboration], “Systematic errors in partially-quenched QCD plus QED lattice simulations,’’ PoS LATTICE 2011 (2011) 136 [arXiv:1201.2787 [hep-lat]].
  • L. Lellouch, “Light quarks and lattice QCD,’’ plenary talk given at Quark Confinement and the Hadron Spectrum X, 8-12 October 2012, Munich, Germany, in preparation for the proceedings.
  • L. Lellouch, “Meson Chiral Perturbation Theory meets Lattice QCD,” plenary talk given at The 7th International Workshop on Chiral Dynamics, August 6-10, 2012, Newport News, VA, USA, in preparation for the proceedings.

Theses:

  • Antonin Portelli (Aix-Marseille U.), “Nonperturbative quantum chromodynamics and isospin symmetry breaking,” to be defended in December 2012.

Talks:

  • L. Lellouch, “Light quarks and lattice QCD,’’ plenary talk given at Quark Confinement and the Hadron Spectrum X, 8-12 October 2012, Munich, Germany.
  • L. Lellouch, “Meson Chiral Perturbation Theory meets Lattice QCD,’’ plenary talk given at the 7th International Workshop on Chiral Dynamics, August 6-10, 2012, Newport News, VA, USA.
  • L. Lellouch, “Revealing light quark and hadron properties with supercomputers,” departmental colloquium at Universität Regensburg, Regensburg, Germany, 21 May 2012.
  • L. Lellouch, “Light quark and hadron properties from QCD at the physical point,” Università Roma Tre, Rome, Italy, 19 April 2012.

Invited talks:

  • L. Lellouch, “Hadronic contributions to (g_mu – 2) and lattice QCD,” invited review at 2nd Workshop on Muon g-2 and EDM in the LHC Era, Paris, France 25 May 2012
  • L. Lellouch, “Lattice QCD and the search for new physics,” invited review at Rencontre de physique des particules 2012, Montpellier, France, 14-16 May 2012.

Modeling gravitational wave signals from black hole binaries

Project leader: Sascha Husa, Universitat de les Illes Balears, Spain
Research field: Astrophysics

Publications:

  • Patricia Schmidt, Mark Hannam, Sascha Husa, “Towards models of gravitational waveforms from generic binaries: A simple approximate mapping between precessing and non-precessing inspiral signals”, Phys.Rev. D86 (2012) 104063.
  • Michael Puerrer, Sascha Husa, Mark Hannam, “An efficient iterative method to reduce eccentricity in numerical-relativity simulations of compact binary inspiral”, Phys. Rev. D 85, 124051, arXiv:1203.4258.
  • P. Ajith, et. al, “The NINJA-2 catalog of hybrid post-Newtonian/numerical-relativity waveforms for non-precessing black-hole binaries”, Class. Quantum Grav. 29 124001, arXiv:1201.5319.
  • Ioannis Kamaretsos, Mark Hannam, Sascha Husa, B. S. Sathyaprakash, Black-hole hair loss: learning about binary progenitors from ringdown signals Phys. Rev. D 85, 024018 arXiv:1107.0854v3
  • Emily Baird, Stephen Fairhurst, Mark Hannam, Patricia Murphy, “Degeneracy between mass and spin in black-hole-binary waveforms”, Phys. Rev. D87 (2013) 024035
  • Kamaretsos, M. Hannam, B. Sathyaprakash, “Is black-hole ringdown a memory of its progenitor?”, Phys.Rev.Lett. 109 (2012) 141102, arXiv:1207.0399
  • Mark Hannam, Duncan Brown, Stephen Fairhurst, Chris Fryer, Ian Harry, “When can gravitational-wave observations distinguish between black holes and neutron stars?”, Ap.J. Lett. 766 (2013) L14.
  • P. Ajith, N. Fotopoulos, S. Privitera, A. Neunzert, A. J. Weinstein, “An effectualtemplate bank for the detection of gravitational waves from inspiralling compactbinaries with generic spins”, Submitted to Phys. Rev. D., arXiv:1210.6666
  • N. Bishop, C. Reisswig, “The gravitational wave strain in the characteristicformalism of numerical relativity”, Gen.Rel.Grav. 46 (2014) 1643
  • T. Dietrich, B. Brügmann, “Solving the Hamiltonian constraint for 1+logtrumpets”, Phys. Rev. D 89, 024014 (2014)
  • I. Hinder, et al, “Error-analysis and comparison to analytical models of numericalwaveforms produced by the NRAR Collaboration”, Class.Quant.Grav. 31 (2014)025012.
  • M. Hannam et al, “Twist and shout: A simple model of complete precessingblack-hole-binary gravitational waveforms”, submitted to Physical Review Letters,arXiv:1308.3271
  • N. Andersson, “The transient gravitational-wave sky”, Class. Quantum Grav. 30,193002 (2013), Class.Quant.Grav. 30 (2013) 193002
  • M. Pürrer, M. Hannam, P. Ajith, S. Husa, “Testing the validity of the single-spinapproximation in inspiral-merger-ringdown waveforms” Phys. Rev. D88, 064007(2013)
  • C. Reisswig, C. D. Ott, E. Abdikamalov, R. Haas, P. Mösta, E.Schnetter, “Formation and Coalescence of Cosmological Supermassive Black HoleBinaries in Supermassive Star Collapse”, Phys. Rev. Lett. 111, 151101 (2013)
  • C. Reisswig, N. T. Bishop, D. Pollney, “General relativistic null-cone evolutionswith a high-order scheme, Gen. Rel. Grav. 45 (5), pp 1069-1094 (2013)
  • N. W. Taylor, M. Boyle, C. Reisswig, M. A. Scheel, T. Chu, L. E. Kidder,B.Szilagyi, “Comparing Gravitational Waveform Extrapolation to Cauchy-Characteristic Extraction in Binary Black Hole Simulations”, Phys.Rev. D88 (2013)124010
  • LIGO Scientific Collaboration, Virgo Scientific Collaboration, and the NINJACollaboration, “The NINJA-2 project: Detecting and characterizing gravitationalwaveforms modelled using numerical binary black hole simulations”, submitted toClass.Quant.Grav, arXiv:1401.0939
  • M. Pürrer, “Frequency domain reduced order models for gravitational wavesfrom aligned-spin black-hole binaries”, submitted to Class.Quant.Grav.,arXiv:1402.4146
  • S.Husa, Michael Pürrer, Mark Hannam, Sebastian Khan, Alejandro Bohé,Bernd Brügmann, Francisco Jimenez Forteza, Nathan Johnson-McDaniel, DenisPollney, Christian Reisswig, Milton Ruiz, Patricia Schmidt, Marcus Thierfelder,”Modeling gravitational wave signals from black hole binaries”, submitted to LRZyearly report, (2014)

Theses:

  • Alex Vañó Viñuales, University of the Balearic Islands
  • Patricia Schmidt, University of Cardiff
  • Juan Calderon Bustillo, University of the Balearic Islands
  • Daniela Paredes, University of the Balearic Islands (thesis finished, not yet defended)
  • Sebastian Khan, Cardiff
  • Francisco Ximenez Forteza,
  • Ioannis Kamaretsos (graduated, thesis “Gravitational-wave radiation frommerging binary black holes and Supernovae”)

Talks:

  • Patricia Schmidt, “Disentangling precession”, talk presented at National Astronomy Meeting, Manchester, April 2012.
  • Michael Pürrer, Sascha Husa, Mark Hannam, ’An efficient iterative method to reduce eccentricity in numerical-relativity simulations of compact binary inspiral’, talk presented at Britgrav 2012, Southampton.
  • Mark Hannam, “Worse than dummies: black holes for computers”, Geometry and Physics seminar, Cardiff, April 2012.
  • Mark Hannam, “Can we measure how fast black holes spin”, Gravitational Group seminar, Southampton, May 2012.
  • Michael Pürrer, Sascha Husa, Mark Hannam, ’An efficient iterative method to reduce eccentricity in numerical-relativity simulations of compact binary inspiral’, poster presented at RAS-NAM 2012, Ma
    nchester.
  • Sascha Husa, “The Ninja Project and surveys of the binary black hole parameter space”, Iberian Gravitational Wave Meeting, Barcelona, February 2012.
  • Sascha Husa, “The Ninja Project and surveys of the binary black hole parameter space”, Cardiff Relativity Group Seminar, December 2012.
  • Sascha Husa, “Modeling Black Hole Binaries with the PRACE infrastructure”m UIB-Palma Gravity Group Seminar, “, December 2011.
  • Sascha Husa, “Computational Modeling of Gravitational Wave Sources”, 6th Multidark and RENATA workshop, Canfranc underground laboratory, April 2012.
  • Michael Pürrer, UIB-Palma Gravity Group Seminar, “Testing the validity of the single-spin approximation in IMR waveforms’’, September 27, 2012.
  • S. Husa, “Accuracy requirements for binary black hole waveforms”, CoCoNut Meeting, Mallorca, October 2012
  • P. Ajith, “Detection template bank for gravitational waves from inspiralling compact binaries with spins”, LIGO Seminar at California Institute of Technology,USA, 7 December 2012
  • P Ajith, “The gravitational-wave window to the Universe”, Frontier Lectures inPhysics, Mahatma Gandhi University, Kottayam, India, 15 February 2013
  • M. Hannam, “Compact binary coalescence: spinning systems”, UK/India Meeting,Cardiff, 20 Febraury 2013
  • P Ajith, “Gravitational-wave astronomy” Plenary talk at the 27th Meeting of theIndian Association of General Relativity and Gravitation, Srinagar (Garhwal), India,7 March 2013
  • S. Husa, “Modelling Gravitational Waves from Black Hole Binaries”, 3rd IberianGravitational-Wave Meeting 2013, Valencia, March 21 2013
  • T. Dietrich, “Black Hole Spin within the moving puncture method: NumericalExperiments”, GR20/Amaldi 10, Warsaw, July 2013
  • S. Husa, “Accuracy and convergence of miving puncture binary black holesimulations”, GR20/Amaldi 10, Warsaw, July 11 2013
  • S. Khan, “Investigations into the origin of ringdown mode structure”,GR20/Amaldi10, Warsaw, 11 July 2013
  • C. Reisswig, “An Example Of Science Results Obtained with the Einstein Toolkit:Supermassive Star Collapse’’, Cahill Center for Astronomy and Astrophysics,Caltech, Pasadena, July 2013
  • C. Reisswig, “Formation and Coalescence of Cosmological Supermassive BlackHole Binaries in Supermassive Star Collapse’’, University of Santa Barbara, KITPprogram: “A Universe of Black Holes”, July 2013.
  • C Reisswig, “Formation and Coalescence of Cosmological Supermassive Black Hole Binaries in Supermassive Star Collapse’’, CITA, Toronto, Canada, Seminar,August 2013
  • S. Husa, “Phenomenological modeling of gravitational waves from spinning blackhole binaries”, Encuentros Relativistas Españoles, Benasque, September 11 2013
  • A. Bohe, “Towards modeling higher modes during the ringdown”, NRDA 2013,Mallorca, Spain, September 2013
  • M. Hannam, “Generic black-hole binary waveform models”, NRDA 2013, Mallorca,Spain, September 2013
  • S. Khan, “Investigations into the origin of ringdown mode structure”, NRDA 2013,Mallorca, Spain, September 2013
  • M. Pürrer, “Testing the validity of the single-spin approximation in inspiral-mergerringdownwaveforms”. NRDA 2013 Meeting, Mallorca, Spain, September 2013

Invited talks:

  • Sascha Husa, KITP, “Accuracy of numerical-relativity simulations of spinning compact binaries”, “Rattle and Shine” conference, July 2012, on.
  • P. Ajith, APS April meeting, Atlanta, USA (31 March 2012).
  • P Ajith, “Introduction to approximation methods in General Relativity”, 24th Chris Engelbrecht Summer School on Gravitational Wave Astronomy, Rhodes University, Grahamstown, South Africa, 15-24 January 2013
  • P Ajith, “Gravitational-wave astronomy: A New observational window to theUniverse”, Workshop on Astronomy Research: Opportunitiesand Challenges, Tiruvalla, India, 13 August 2013

Effects of irradiation on nanostructures from first principles simulations

Project leader: Arkady Krasheninnikov, University of Helsinki, Finland
Research field: Fundamental Physics

Publications:

  • S. Kurasch, J. Kotakoski, O.J. Lehtinen, V. Skakalova, J.H. Smet, C. Krill, A. V. Krasheninnikov, and U. Kaiser “Atom-by-Atom Observation of Grain Boundary Migration in Graphene”, Nano Letters 12, 3168 (2012).
  • A. Ojanperä, A.V. Krasheninnikov, and M. Puska “Electronic stopping power from first-principles: going beyond valence electron excitations”, Phys. Rev. B 89 (2014) 035120
  • S. Standop, O. Lehtinen, C. Herbig, G. Lewes-Malandrakis, F. Craes, J. Kotakoski, Th. Michely, A.V. Krasheninnikov, and C. Busse “Ion Impacts on Graphene/Ir(111): Interface Channeling, Vacancy Funnels, and a Nanomesh”, Nano Letters 13 (2013) 1948.

Theses:

  • The simulations carried out within this project will be a part of Ari Ojanperä, Aalto University, PhD thesis to be submitted in 2014.

Invited talks:

  • A.V. Krasheninnikov “Tailoring the properties of graphene, dichalcogenides and other 2D materials through electron irradiation: insight from DFT simulations and TEM experiments”, Graphene, Brussels, April 2012.
  • A.V. Krasheninnikov,”Irradiation-induced defects in graphene and inorganic 2D materials for selective functionalization of their surfaces”, CECAM workshop “Chemical and topological functionalization of graphitic surfaces: open challenges for computational modeling”, Lausanne, Switzerland, 23-25 April 2012.
  • A.V. Krasheninnikov,”Novel two-dimensional phases of carbon and silica from experiments and simulations”, International Conference on Modern Problems in the Physics of Surfaces and Nanostructures,Yaroslavl, Russia, 23-25 May 2012.
  • A.V. Krasheninnikov, COST NanoTP Meeting “Quantum-chemical modelling of large nanostructures”, Aveiro, June 6-9th 2012
  • A.V. Krasheninnikov,”Irradiation of graphene” European workshop on epitaxial graphene, Aussois, France, January 27-30, 2013

Physics of the Solar Chromosphere

Project leader: Mats Carlsson, University of Oslo, Norway
Research field: Astrophysics

Theses:

  • Nuno Guerrero: “Spicules, mass flows and heating in the upper solar atmosphere”, defended April 17 2013.
  • Kosovare Olluri: “Non-equilibrium ionization of metals in 3D numerical models of the solar atmosphere” defended February 28 2014.

Talks:

  • IRIS workshop, Palo Alto, USA, January 9 2012, Results from Bifrost: Chromosphere
  • seminar, Stockholm University, Stockholm, Sweden, January 27 2012, Modelling the Solar Chromosphere
  • seminar, ITA, Oslo, Norway, February 10 2012, Modelling the Solar Chromosphere
  • IRIS/SDO/Hinode workshop, Monterey, USA, March 13 2012, State-of-the-art of non-LTE diagnostics: observations and simulations
  • European Astronomy meeting in Rome, Italy, 6 July 2012, Future directions in European Solar Physics, ground based, space based and numerical simulations
  • Solar-C meeting, St.Andrews, UK, 13 August 2012, Formation and sensitivity of SUVIT lines in a dynamic atmosphere
  • Opening of a PRACE tier-1 resource, abel, in Oslo, 4 Oct
    ober 2012, Building Stars in Supercomputers
  • Soho meeting, Palm Cove, Australia, 12 November 2012, Modeling the Solar Chromosphere
  • Solar-C meeting, Tokyo, Japan, 10 December 2012, Heating and Dynamics of the Chromosphere
  • Physics of Geological Processes meeting, Oslo, 01 February 2013Patterns on the Sun
  • International Workshop on Modelling of Mantle and Lithosphere Dynamics, Oslo
  • 1 September 2013: Adding Complexity – Magnetohydrodynamics
  • American Geophysical Union winter meeting, San Francisco, 09 December 2013First Comparison between IRIS Data and Numerical Models

Branch point motion in star polymers and their mixtures with linear chains

Project leader: Angel Moreno, CSIC-UPV/EHU, Spain
Research field: Chemistry and Material Sciences

Publications:

  • P. Bacova, L. G. D. Hawke, D. J. Read, and A. J. Moreno: Dynamics of Branched Polymers: A Combined Study by Molecular Dynamics Simulations and Tube Theory, Macromolecules 46 (2013) 4633-4650.
  • P. Bacova, H. Lentzakis, D. J. Read, A. J. Moreno, D. Vlassopoulos, and C. Das: Branchpoint motion in architecturally complex polymers: estimation of hopping parameters from computer simulations and experiments, submitted to Macromolecules (2014).

Theses:

  • The results constitute the basis of the Ph.D. project (on progress) of one of the team members, Petra Bacova. They were used in comparison with theoretical predictions from the Ph.D. project of Laurence Hawke (Department of Applied Mathematics University of Leeds, supervisor: Daniel Read, thesis Dynamics of branched polymers: Rheology, Neutron Scattering and MD Simulations).

Talks:

  • 7th INTERNATIONAL DISCUSSION MEETING ON RELAXATIONS IN COMPLEX SYSTEMS, Barcelona (Spain) 21.-26.JULY 2013″Testing the tube model in branched polymers by large-scale computersimulations”(Oral), P. Bacova
  • SOFTCOMP & ESMI ANNUAL MEETING, RIMINI (ITALY) 28-31 MAY 2013″Computer simulations of branched polymers: testing concepts from tube models” (Oral), A. Moreno
  • 8th ANNUAL EUROPEAN RHEOLOGY CONFERENCE, Leuven (Belgium) 2.-5.APRIL 2013 “Computer simulations of chain dynamics in architecturally complexpolymers”(Oral), P. Bacova
  • DYNACOP CONFERENCE ON DYNAMICS OF ARCHITECTURALLY COMPLEX POLYMERS: CURRENT AND FUTURE TRENDS, LEEDS (UK) 12-14 DECEMBER 2012, “Computer simulations of chain dynamics in architecturally complex polymers” (Oral), P. Bacova
  • XVITH INTERNATIONAL CONGRESS ON RHEOLOGY, LISBON (PORTUGAL) 5-10 AUGUST 2012″Computer simulations of chain dynamics in melts of branched polymers” (Oral), P. Bacova
  • ANNUAL SOFTCOMP & ESMI MEETING, HERAKLION (GREECE) 28 MAY – 1JUNE 2012″Computer simulations of chain dynamics in architecturally complex polymers” (Oral), P. Bacova

Structure of turbulence in supersonic boundary layers at high Reynolds number

Project leader: Sergio Pirozzoli, Sapienza, University of Rome, Italy
Research field: Engineering and Energy

Publications:

  • High-Reynolds-number effects in numerical boundary layers, by S. Pirozzoli and M. Bernardini
  • On the size of the energy-containing eddies in the outer turbulent wall layer. Part II: evidence from energy spectra, by S. Pirozzoli

Structure and evolution of an active region on the Sun

Project leader: Hardi Peter, Max-Planck-Institut für Sonnensystemforschung, Germany
Research field: Astrophysics

Publications:

  • Bourdin Ph.-A., Bingert S., Peter H., “Observationally driven 3D MHD model of the corona above a solar active region – I. Comparison of synthetic EUV emission and Doppler line-shifts with observations”, in preparation
  • Bourdin Ph.-A., Bingert S., Peter H., “Observationally driven 3D MHD model of the corona above a solar active region – II. Ohmic and viscous heating in the solar atmosphere”, in preparation
  • Bourdin Ph.-A., Priest E., “Observationally driven 3D MHD model of the corona above a solar active region – III. Magnetic structure and coronal tectonics”, planned
  • Bourdin Ph.-A., Peter H., “Observationally driven 3D MHD model of the corona above a solar active region – IV. Testing theoretical parameterizations of heatingrates along loops”, planned

Theses:

  • Philippe-A. Bourdin, “Structure and evolution of an active region on the Sun”

Talks:

  • Philippe-A. Bourdin: “Observationally driven 3D MHD model of a solar active region”, Rocks’n’Stars, 8.-11. October 2012, Göttingen, Germany
  • Philippe-A. Bourdin: “Ohmic and viscous heating in solar active regions”, Hinode-6, 13.-17. August 2012, St. Andrews, UK
  • H. Peter: “Forward modeling of the solar corona & comparison to observations”, 1st Sino-German Symposium on Solar Physics, 16.-19. October 2012, Nanjing, China.
  • H. Peter: “Modeling the solar corona: heat input and temperature gradients”, Colloquium at Peking University, 10. October 2012, Beijing, China
  • H. Peter: “Comparing 3D MHD coronal models to observations”, Colloquium at the High Altitude Observatory, 15. May 2012, Boulder, USA

Blood Dynamics in heart-sized coronary arteries

Project leader: Simone Melchionna, Sapienza, Consiglio Nazionale delle Ricerche, Italy
Research field: Medicine and Life Sciences

Publications:

  • S. Melchionna, M. Bernaschi, M. Bisson, S. Succi “Effect of hematocrit on the Endothelial Shear Stress in the coronary system”, in preparation.
  • S. Melchionna, G. Amati, M. Bernaschi, M. Bisson, S. Succi “Risk assessment of atherosclerotic plaques based on global biomechanics”, submitted to Medical and Biological Engineering and Computing (2012).
  • G. Pontrelli, I. Halliday, S. MELCHIONNA, T.J. Spencer, S. Succi, The Lattice Boltzmann method and multiscale hemodynamics: recent advances and perspectives, Math. Mod. Conference Proceedings (2012)
  • Book chapter in “Micro and Nano flow system for bioanalysis”, M.W.Collins and C.S.Konig Eds., Springer (2012).
  • S. Melchionna, G. Amati, M. Bernaschi, M. Bisson, S. Succi, D. Mitsouras, F. J. Rybicki, Risk assessment of atherosclerotic plaques based on global biomechanics, Med. Eng. & Phys., 35, 1290 (2013)
  • G. Pontrelli, I. Halliday, S. Melchionna, T.J. Spencer, S. Succi, On the Lattice Boltzmann method as a computational framework for multiscale hemodynamics, Math. Compu
    t. Modelling Dyn. Sys., (2013), DOI:10.1080/13873954.2013.833523

Patents:

  • The software deployed during this project is called MUPHY and has been deposited. During the development of this project, a visual front-end for graphical manipulation of anatomical data has been developed that will be deposited as well.

Theses:

  • Chiara Orsini, PhD student, Scuola Superiore Sant’Anna, Pisa

Invited talks:

  • Keynote talk, DSFD “Analysis of healthy and disturbed blood flows in coronary systems with a combined Lattice Boltzmann/Molecular Dynamics scheme” Conference Discrete Simulation for Fluid Dynamics, Bangalore, 2012.
  • Invited seminar, Summer School on Mechanics and Engineering Sciences, “Pressure-driven and electro-phoretic biological flows in nano and microenvironment”, Sperlonga Italy, 2012.
  • “Multiscale biofluidics with MUPHY development strategies on heterogeneous architectures”, Teratec Conference, Paris 2012.
  • “Large-scale simulations of blood flows with coarse-grained cells”, Hierarchical Methods for Dynamics in Complex Molecular Systems, Institute for Advanced Simulations, Forschungszentrum Juelich, 2012.
  • “Implicit versus explicit particle modeling of suspensions via the Lattice Boltzmann method”, CECAM workshop on Multiscale modeling of simple and complex liquid flow using particle-continuum hybrids, Zaragoza, 2011.
  • “Cardiovascular blood flows with suspended red blood cells via computer simulation”, Conference Micro and Nano flows, Thessaloniki, 2011.
  • “Role of red blood cells in large-scale blood dynamics”, Multiscale fluid dynamics with the Lattice Boltzmann method, Lorentz Center, Leiden 2011.

Singlet physics – the missing link to precision lattice QCD

Project leader: Karl Jansen, NIC, DESY Zeuthen, Germany
Research field: Fundamental Physics

Publications:

  • K. Cichy, K. Jansen and P. Korcyl, Nucl.Phys. B865, 268 (2012), [1207.0628].
  • S. Dinter et al., JHEP 1208, 037 (2012), [1202.1480].
  • ETM Collaboration, K. Jansen, F. Karbstein, A. Nagy and M. Wagner,
  • JHEP 1201, 025 (2012), [1110.6859].
  • X. Feng, K. Jansen, M. Petschlies and D. B. Renner, Phys.Rev.Lett. 107, 081802 (2011), [1103.4818].
  • ETM collaboration, K. Ottnad, C. Michael, S. Reker and C. Urbach, 1206.6719.

Theses:

  • Simon Dinter. “Nucleon matrix elements from twisted mass lattice QCD calculations”

Talks:

  • European Twisted Mass Collaboration, K. Jansen, (2010).
  • D. B. Renner, X. Feng, K. Jansen and M. Petschlies, 1206.3113.
  • C. Alexandrou et al., PoS EPS-HEP2011, 308 (2011), [1201.0021].
  • C. Alexandrou et al., PoS LATTICE2011, 150 (2011), [1112.2931].
  • K. Jansen, Int.J.Mod.Phys. E20, 71 (2011), [1111.5129].
  • K. Jansen, M. Petschlies and C. Urbach, PoS LATTICE2011, 234 (2011), [1111.5252].
  • S. Dinter, V. Drach and K. Jansen, PoS LATTICE2011, 152 (2011), [1111.4857].
  • K. Cichy, V. Drach, E. Garcia-Ramos and K. Jansen, PoS LATTICE2011, 102 (2011), [1111.3322].
  • S. Dinter, V. Drach and K. Jansen, Int.J.Mod.Phys.Proc.Suppl. E20, 110 (2011), [1111.5426].
  • K. Jansen, AIP Conf.Proc. 1354, 51 (2011).
  • K. Ottnad, C. Urbach, C. Michael and S. Reker, PoS LATTICE2011, 336 (2011), [1111.3596].

Large scale blood flow simulations: bridging scales by smart coarse graining

Project leader: Federico Toschi, Eindhoven University of Technology, The Netherlands
Research field: Fundamental Physics

Publications:

  • F. Günther, F. Janoschek, S. Frijters, J. Harting, “Lattice Boltzmann simulations of anisotropic particles at liquid interfaces”, Computers and Fluids, in press, 2012
  • J. Harting, F. Janoschek, B. Kaoui, T. Krüger, F. Toschi, “Simplified models for coarse-grained hemodynamics simulations”, 3rd European Conference on Microfluidics, submitted, 2012
  • B. Kaoui, T. Krüger, J. Harting, “How does confinement affect the dynamics of viscous vesicles and red blood cells?”, Soft Matter 8, 9246-9252, 2012
  • T. Krüger, S. Frijters, F. Günther, B. Kaoui, J. Harting, “Numerical simulations of complex ?uid-?uid interface dynamics”, Eur. Phys. J., submitted, 2012

Theses:

  • Arno Bosch: “Numerical study of hydrodynamical interaction between vesicles under shear flow” (BSc thesis)

Talks:

  • “Simplified particulate model for coarse-grained hemodynamics simulations”, Physics@FOM, January 2012, Veldhoven (The Netherlands)
  • “Tumbling to tank-treading transition simulated dense red blood cell suspensions”Seminar, February 2012, University College London (United Kingdom)
  • “Tumbling to tank-treading transition simulated dense red blood cell suspensions and other LBM applications”, Seminar, March 2012, Brunel University London (United Kingdom)
  • “Coarse-grained yet particulate hemodynamics simulations”, Biological Complex Fluids. Softflow 2012, June/Juli 2012, Cargèse (Corsica, France)
  • “Cell-induced plasma diffusion in coarse-grained computational blood models”, 9th European Fluid Mechanics Conference, September 2012, Rome (Italy)

First principles design of a biocatalyst for water oxidation

Project leader: Carme Rovira, University of Barcelona, Spain
Research field: Medicine and Life Sciences

Talks:

  • Pietro Vidossich. “Heme hydroperoxidase catalysis: the role of distal side residues”. November, 2012. Italian Institute of Technology, Genova, Italy.
  • Carme Rovira. “The molecular mechanism of catalase by QM/MM methods”. International Symposium on Applied Bioinorganic Chemistry (11 ISABC). Barcelona. 2-5 December 2011. Selected oral presentation.
  • Carme Rovira. “How does catalase protects us from toxic hydrogen peroxide”. Universitat de Girona – Parc Científic de Girona. April 20, 2012.