抄録
In the ongoing global warming it is required for the world to develop the new energy systems for adapting or mitigating the impacts of climate change and sustaining our prosperous society. Innovation of material science would be a crucial path for realizing the new energy systems. For innovation, large-scale simulation becomes a hopeful way for finding novel materials, analyzing their properties and designing new functions. In this paper, we briefly introduce our simulation research on Mackay crystal of carbon. The simulations show unique aspects of synthesis process of the crystal, mechanical and electronic properties, as well as applicability for solar cell.
