Computational Materials Science Unit Home Page - Seminar -

project
Coordinators: Dr. Masao Arai (FPS2 group), Dr. Yoshihiko Nonomura (PST group), Dr. Akihiro Tanaka (Innovative Materials Engineering L), and Dr. Yoshitaka Tateyama (MANA)

CMS seminar

　The CMS seminar aims at discussion of fundamental theories and calculational methods, as well as individual problems in materials science. The CMS seminar covers the following; (1) announcements of research results of the theoretical/computational scientists in NIMS, especially NIMS-CMSC, (2) talks by guests visiting NIMS (or the neighbourhood), (3) invited talks by outstanding researchers outside. Each seminar is organised by a different member working on theoretical/computational materials science in NIMS. The CMS seminar is open for everyone. All interested are welcome. This seminar is an official activity of the NIMS-CMSC.

Next CMS seminar
  • The organizer of seminar is shown in the square bracket [ ].

09 September 2011 (Fri), 15:30 - 16:15

Prof. Michiel Sprik (Department of Chemistry, University of Cambridge, UK) [Tateyama]
The thermochemistry of oxidative dehydrogenation of a water molecule at a TiO2/water interface
This will be held at 4F seminar room (#431-2), MANA Bldg., Namiki site.


Venue of seminar rooms
  • Click on maps to enlarge.

See Location & Access in the home page for the transportation guide.



Sengen site (arrow: Site Entrance) :
Central Bldg.

sengen

Namiki site (arrow: Site Entrance) :
Collaborative Research Bldg. / MANA Bldg.

namiki

CMS Seminar Archives

You can find the abstracts of previous CMS seminars here.

Research Organization

Material Properties Theory Group

fps2Recent progress in the nanoscience requires the reconsideration of the conventional understanding of the material properties with help of the computational materials science and the state-of-the-art computer technologies. Our project is aimed to obtain the theoretical understanding and predictions of the material properties in terms of the quantum mechanical symmetry which governs the nanoscale properties and the non-empirical electronic theory.

Home PageLinkIcon

First-Principles Simulation Group

fps1With a linear-scaling DFT method, we can employ DFT calculations on systems containing more than tens of thousands of atoms. We also develop the first-principles calculation method to investigate the transport properties of such nano-structures.

Home PageLinkIcon

Thermodynamic Modeling Group

pstWe are applying various simulation techniques such as molecular dynamics, Monte Calro, cluster variation method, and phase field method to materials phenomena to clarify the physics behind them and to predict the microstructure and properties of practical materials.

Home PageLinkIcon