SCHEDULE: NOV 10-16, 2012
When viewing the Technical Program schedule, on the far righthand side is a column labeled "PLANNER." Use this planner to build your own schedule. Once you select an event and want to add it to your personal schedule, just click on the calendar icon of your choice (outlook calendar, ical calendar or google calendar) and that event will be stored there. As you select events in this manner, you will have your own schedule to guide you through the week.
Solving the Schroedinger and Dirac Equations of Atoms and Molecules with Massively Parallel Super-Computer
SESSION: Research Poster Reception
EVENT TYPE: Posters and Electronic Posters
TIME: 5:15PM - 7:00PM
SESSION CHAIR: Torsten Hoefler
AUTHOR(S):Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku Kurokawa, Hiroshi Nakatsuji
ROOM:East Entrance
ABSTRACT:
Schroedinger and relativistic Dirac equations are the most fundamental equations in quantum mechanics and they govern most of phenomena in molecular material science. In spite of that importance, however, their exact solutions have not been able to be solved for over 80 years. Recently, one of the authors was successful to propose a new general theory of solving these equations. In addition, the method proposed for general atoms and molecules is very suitable for massively parallel computing since the sampling procedure is used for solving the local Schroedinger equation. In the present presentation, we will show some practical applications of our method to general atoms and molecules. Our final purpose is to create quantum chemistry as a predictive science with the solution of the Schroedinger and relativistic Dirac equations and the massively parallel super computing should be a help for that purpose.
Chair/Author Details:
Torsten Hoefler (Chair) - ETH Zurich
Hiroyuki Nakashima - Quantum Chemistry Research Institute
Atsushi Ishikawa - Quantum Chemistry Research Institute
Yusaku Kurokawa - Quantum Chemistry Research Institute
Hiroshi Nakatsuji - Quantum Chemistry Research Institute
Click here to download .ics calendar file
Click here to download .vcs calendar file
Click here to add event to your Google Calendar
Solving the Schroedinger and Dirac Equations of Atoms and Molecules with Massively Parallel Super-Computer
SESSION: Research Poster Reception
EVENT TYPE:
TIME: 5:15PM - 7:00PM
SESSION CHAIR: Torsten Hoefler
AUTHOR(S):Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku Kurokawa, Hiroshi Nakatsuji
ROOM:East Entrance
ABSTRACT:
Schroedinger and relativistic Dirac equations are the most fundamental equations in quantum mechanics and they govern most of phenomena in molecular material science. In spite of that importance, however, their exact solutions have not been able to be solved for over 80 years. Recently, one of the authors was successful to propose a new general theory of solving these equations. In addition, the method proposed for general atoms and molecules is very suitable for massively parallel computing since the sampling procedure is used for solving the local Schroedinger equation. In the present presentation, we will show some practical applications of our method to general atoms and molecules. Our final purpose is to create quantum chemistry as a predictive science with the solution of the Schroedinger and relativistic Dirac equations and the massively parallel super computing should be a help for that purpose.
Chair/Author Details:
Torsten Hoefler (Chair) - ETH Zurich
Hiroyuki Nakashima - Quantum Chemistry Research Institute
Atsushi Ishikawa - Quantum Chemistry Research Institute
Yusaku Kurokawa - Quantum Chemistry Research Institute
Hiroshi Nakatsuji - Quantum Chemistry Research Institute
Click here to download .ics calendar file