Multi-Scale Modeling on Catalysis and Functional Materials

Dear all,

Nanoparticles by Design Unit (Sowwan Unit) would like to announce a seminar by Prof. Hiromitsu Takaba, Kogakuin University.

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Date & Time: Thursday, March 13, 15:00-16:00         
Venue: OIST Campus Lab 1, Seminar Room C015
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Speaker: Prof. Hiromitsu Takaba
                  Department of Environmental and Energy Chemistry, Faculty of Engineering,
                  Kogakuin University, Hachioji, Tokyo 192-0015, Japan

Title: Multi-Scale Modeling on Catalysis and Functional Materials
 

Abstract:

Recent applications of multi-scale computational chemistry to design of functional materials will be presented. Our multi-scale computational chemistry approach is on the basis of microscopic molecular simulation such as quantum chemistry calculation and molecular dynamics. The combination of them with alternative macroscopic modeling techniques, eg., computational fluid dynamics or chemoinformatics, enables to design of functional materials. In this presentation, the result of catalysis, gas reaction on precious metals for purification waste gas in automobile, modeling of degradation of precious metals in polymer electrolyte fuel cell, and design of novel oxide phosphor materials for light-emitting diode device.

Host: Mukhles Sowwam, Sowwan Unit

We look forward to seeing many of you.

Sincerely,

Yumi Takahashi
Nanoparticles by Design Unit (Sowwan Unit)