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  Program

 
I: Invited Speaker (30 min. including discussion time)
O: Oral Presentation (15 min. including discussion time)

TENTATIVE PROGRAM HPC 2011
Thursday - April 14, 2011
Chairman: Massimo Macucci (Pisa University, Italy)
09:00-09:30   Thierry Deutsch (INAC – CEA, France)
(I)
  "BigDFT: Large-scale ab initio methods based on wavelets"
09:30-10:00   Yoshiyuki Miyamoto (AIST, Japan)
(I)
  "Massive computation for non-equilibrium phenomena in nanocarbons"
10:00-10:30   Angel Rubio (Univ of the Basque Country UPV/EHU, Spain)
(I)
  "Modeling Photo-induced dynamical processes in massive parallel architectures"
10:30-10:45   Ivan Kondov (Karlsruher Institut für Technologie, Germany)
(O)
  "Integrated HPC application services for multiscale materials modeling"
10:45-11:00   Xavier Oriols (Universitat Autònoma de Barcelona, Spain)
(O)
   "BITLLES: a quantum-trajectory simulation tool for electron transport in large electronic structures"
11:00-11:45 Coffee Break
Chairman: Francois Leonard (Sandia National  Laboratories, USA)
11:45-12:15   Arkady Krashenninikov (University of Helsinki, Finland)
(I)
  "Tailoring the Atomic and Electronic Structure of Two-Dimensional Carbon and Boron-Nitride Systems with Electron and Ion Beams "
12:15-12:30   Francesco Mercuri (CNR-ISTM, Italy)
(O)
  "Electronic and transport properties of chemically functionalized nanographenes"
12:30-12:45   Jens Kunstmann (TU Dresden, Germany)
(O)
  "Graphene edge magnetism for spintronics applications: Dream or Reality?"
12:45-13:15   Oleg Yazyev (University of Berkeley, USA)
(I)
  "Computational studies of Dirac fermion materials and nanostructures"
13:15-15:00 Lunch
Chairman: Daniel Sanchez-Portal (Centro de  Física de Materiales, Spain)
15:00-15:30   Pablo Ordejon (CIN2 (CSIC-ICN), Spain)
(I)
  "Exploring the real nano-world using HPC beyond the ab-initio approach"
15:30-15:45   Anders Blom (QuantumWise, Denmark)
(O)
  "Towards Realistic Atomic-Scale Modeling of Nanoscale Devices"
15:45-16:00   Pedro L. Galindo (Universidad de Cadiz, Spain)
(O)
  "A complete methodology for the simulation of large nanostructures and quantitative analysis using Z-contrast images"
16:00-16:30   Syogo Tejima (RIST, Japan)
(I)
  "Electron transport of nano-carbon materials"
16:30-17:00   Catalin Spataru (Sandia National Labs, USA)
(I)
  "Tunable bandgaps and excitons in doped semiconducting carbon nanotubes made possible by acoustic plasmons"
17:00-17:30 Coffee Break
Chairman:Syogo Tejima (RIST, Japan)
17:30-17:45   Dietrich Foerster (University of Bordeaux I, France)
(O)
   "Compression of sets of products of atomic orbitals, with applications to TDDFT and GW"
17:45-18:00   Petr Koval (Centro de Fisica de Materiales, Spain)
(O)
  "An O(N3) implementation of Hedin's GW approximation for molecules"
18:00-18:30   Jim Greer (Tyndall University, Ireland)
(I)
  "Monte Carlo Configuration Interaction for Molecules and Nanostructures"
18:30-18:45   Massimo Macucci (Universita' di Pisa - Dipart. Ingegneria dell'Informazione, Italy)
(O)
   "Simulation of scanned probe spectroscopy: a challenging numerical problem"



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