ISSP-CMSI international workshop/symposium on

MAterial Simulation in Petaflops era (MASP2012)

Workshop: June 25th -July 1st and July 3rd-11th, 2012
Symposium: July 2nd, 12th, and 13th, 2012

Workshop Program

We have 24 lecturers and 26 classes focused on recent hot topics in the computer simulation on materials science. If you find interesting subjects, please freely come to ISSP main building seminar room A615 (6F) and discuss with us.

Workshop June 25th-July 1st and July 3rd-July 11th, 2012

[Morning session] 10:00 - 11:30, [Afternoon session] 14:00 - 15:30, [Free discussion] 16:00 -

Workshop 1st week

June 25 (Mon.) Accurate electronic structure calculation

morning session: Yasutami Takada (ISSP)
[PPT]"Many-Body Non-Perturbative Approach to the Electron Self-Energy"

afternoon session: Jun-ya Hasegawa (Kyoto University)
[PPTX]"Configuration Interaction in Quantum Chemistry"

June 26 (Tue.) Accurate electronic structure calculation

morning session: Lubos Mitas (North Carolina State University)
[PDF]"Quantum Monte Carlo: introduction"

June 27 (Wed.) Excited stetes

morning session: Hardy Gross (Max Planck Institute of Microstructure Physics)
[PDF1, PDF2]"Time-dependent density functional theory"

afternoon session: Kazuhiro Yabana (University of Tsukuba)
[PDF]"Real-time electron dynamics in solids under strong electromagnetic fields"

June 28 (Thurs.) Superconductivity

morning session: Hardy Gross (Max Planck Institute of Microstructure Physics)
[PDF]"How to predict the critical temperature of superconductors: An ab-initio perspective"

afternoon session: Yasutami Takada (ISSP)
[PPT]"Theory for Reliable First-Principles Prediction of the Superconducting Tc"

free discussion on relative topics

June 29 (Fri.) Excited stetes and electron-phonon

*morinig session (120 min., ISSP main building A615): Michael Rohlfing (University of Osnabruck)
[PDF1,PDF2,PDF3]"Many-Body Perturbation Theory"

**afternoon session (120 min., ISSP main building A612): Andrea Marini (National Research Council)
[PDF]"Finite temperature calculations of the electronic and optical properties of solids and nanostructures: the role of electron-phonon coupling from an Ab-Initio perspective"

**free discussion on relative topics (ISSP main building A612)

 

Workshop 2nd week

July 3 (Tue.) van der Waals interaction

morning session: O. Anatole von Lilienfeld (Argonne National Laboratory)
[PDF]"Van der Waals"

afternoon session: John Dobson (Griffith University)
[PDF]"Some issues concerning dispersion interactions"

July 4 (Wed.) Interface

morning session: Minoru Otani (National Institute of Advanced Industrial Science and Technology)
[PDF]"First principles molecular dynamics simulation of electrochemical reactions: application and extension of the effective screening medium method"

afternoon session: Tadashi Ogitsu (Lawrence Livermore National Laboratory)
[PPTX]"Solid-liquid interface for energy applications -Connecting atomistic view and reality-"

*afternoon short session (40min., 16:00-16:40): Marc Koper (Leiden University)

July 5 (Thurs.) Interface

morning session: Yoshitaka Tateyama (National Institute for Materials Science)

afternoon session: Michiel Sprik (University of Cambridge)
[PDF]"Computation of electrode Potentials and Alignment of Electronic Energy Levels"

July 6 (Fri.) Thermal physics

morning session: Junichiro Shiomi (The University of Tokyo)

afternoon session: Takahiro Yamamoto (Tokyo University of Science)
[PDF]"Phonon Thermal Transport at Nanoscale"

 

Workshp 3rd week

July 9 (Mon.) Transport

morning session: Massimiliano Di Ventra (University of California)
[PPT]"Fundamental aspects of transport in nanostructures and atomic physics"

afternoon session: Hisao Nakamura (National Institute of Advanced Industrial Science and Technology)
[PDF]"First Principles Nanequilibrium Transport Theory of Real Molecular Electronics"

*afternoon short session (45min., 16:00-16:45): Joost VandeVondele (Eidgenössische Technische Hochschule Zürich)

July 10 (Tue.) Interface

morning session: Mårten Björketun (Technical University of Denmark)
[PPT]"Modeling electrocatalysis from first principles"

afternoon session: Ryosuke Jinnouchi (TOYOTA Central R&D lab., Inc)
[PDF]"Electronic structure calculations on liquid-solid interfaces by density functional theory combined with modified Poisson-Boltzmann theory"

July 11 (Wed.) Large-scale calculation

morning session: Francois Gygi (University of California)
[PDF]"Large-Scale First-Principles Molecular Dynamics Simulations"

afternoon session: Taisuke Ozaki (Japan Advanced Institute of Science and Technology)