Simulation Platform Development
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Researchers:
Kwang-Ryeol Lee, Seungchul Kim, Jung-Hoon Lee, Sang Soo Han
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Representative Achievement:
• iBat: Simulation platform for battery materials
• qCat: Simulation platform for catalysis
• qBaandi: Simulation platform for light-emitting display materials
• Virtual Analysis Center (VAC): Web-based spectroscopy platform to obtain material's properties including XRD, XPS, NMR, AFM etc.
Mission Description
Simulation of materials was used as an auxiliary tool to explain observed phenomena, but thanks to the rapid development of software and computers in the last decade or so, it has been using to design or to predict materials and phenomena. However, in order to properly use the computer simulation, years of professional training along with high-performance computers pricing hundreds of thousand dollars or even more, is required. In addition, since each technique requires narrow and deep expertise, it is difficult for even an expert to use multiple computational simulation methods.
The Computational Science Research Center has been developing web platforms to overcome these limitations. Inconvenient user interface such as terminal environment, fine setting of software, technical problems irrelevant to the material to be studied, and managing high-performance computers. Pushing all these difficulties back of the web platforms that built using all the expert know-how, we have created research environment that researchers can focus on the materials of interest without taking care of simulation techniques. The Computational Science Research Center develops thematic web platforms specialized in specific applications and type of materials, and publishes them through www.vfab.org. In addition to virtual analysis equipment, we provide platforms for nanoelectronic materials, lithium-ion batteries, catalysts for fuel cells, and quantum dots. Even if you do not have experience in materials simulation, you can do it for your own research after just a day of education.
The Computational Science Research Center recently developed and released SimPL, a Contents Management System for web platforms, in collaboration with Virtual Lab Inc., the company provides simulation service. All components of the web platform can be modularized, so any web platform or web program can be produced by assembling modules. For simulation research group, they can build their own simulation webpage using research know-how and programs the group has. If many researchers share their programs within the SimPL framework, anybody can easily build an infinite variety of simulation web platforms. The Computational Science Research Center aims to create a web platform ecosystem created by researchers all around the world within the Contents Management System.