| 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" |
Program
