|
Closed |
QCRI, QCRD hosting |
As a result of recent advances and increasing reliability of computational chemistry, quantum-chemical computations are frequently performed to obtain guiding principles in research and development. This workshop is designed to demonstrate how the Gaussian program and the SAC-CI method included in it are used for understanding and designs of photo-electronic processes in molecules, materials and biological systems.
Gaussian is a suite of quantum chemistry programs most widely used all over the world. It covers the most important programs from semi-empirical and DFT to high-level ab initio quantum chemical theories and has been applied to study the electronic processes of atomic and molecular phenomena. The SAC-CI theory included in Gaussian is a reliable method that is useful to clarify the principal aspects of science and chemistry exhibited by the excited and ionized states of molecules. In this workshop, we will teach the basic quantum-chemistry concepts related to the SAC-CI theory through a series of practical exercises so that the participants will gain the expertise to use the program in practical applications. This workshop will be particularly useful for those who want: 1) to use Gaussian and SAC-CI to study molecular excited and ionized states; 2) to design photo-electronic materials; and 3) to clarify the origin of photo-biological functions and phenomena. The lecturers consist of the proposer and the developers of the SAC-CI methodology. They will teach, in an easy-to-understand format, the most advanced, most sophisticated uses of this theory.
On the first evening, there will be a reception, where the participants may become acquainted with one another and may ask questions that could not be raised during the main course. Please plan to attend this event. Some details of the workshop are as follows:
-> From 10:30 am, June 10 to 5:00 pm, June 11, 2010 (reception from 6:00 pm on June 10).
-> At Campus-Plaza-Kyoto (Congress Room 1 and Hall, 2nd floor) located approximately a 5 minute walk to the west of the north (main) gate of JR Kyoto Station.
-> Lecturers: H. Nakatsuji, M. Ehara, J. Hasegawa, R. Fukuda, T. Miyahara, H. Nakashima
For more details, please visit Japanese version.
Application form is here (Word, PDF) (in Japanese).
Workshop time table is here (in Japanese).