Introduction to Web-based Battery Materials Design Platform, iBat
Introduction to Web-based Battery Materials Design Platform: iBat
1Computational Science Center, Korea Institute of Science and Technology, Seoul, Republic of Korea
Owing to the rapid increase in computing power and successful development of computational methodologies, molecular level simulation is driving a new paradigm of materials research. Increased predicting power of the ab initio calculation combined with molecular dynamics approach can now guide the experimental research. In this presentation, I will introduce recently developed web-based platforms to design materials using the process and property simulation methods. The web-based materials design platform has been drawn much attention to reduce the entrance barrier for non-theoretical researchers to utilize the massive computation tools for the design of materials. We have built the thematic platforms that mimics the procedure of the experimental works in the nano-fab of real space as closely as possible . Virtual Fab for Li ion battery materials (http://battery.vfab.org) is composed of Anode Design Lab, SEI Simulation Lab, Cathode Design Lab, Electrolyte Design Lab and Full cell simulation module. These platforms are supposed to be combined with the materials big-data to discover new materials of novel properties and optimize the materials processes. Simulation-on-demand (http://www.materialssquare.com) service launched by the KIST spinoff startup, Virtual Lab. Co., will be also briefly introduced.