Construction of Nano-Architecture Based on Computational Quantum Theoretical Science

Research Project Outline

In this research project, we will establish a methodology of quantum theoretical simulations for nano- and bio-materials consisting of 10 to 100 thousands of atoms by improving current techniques in an innovative way. Interdisciplinary collaboration among computational materials science, bioscience and computer science and technology will be emphasized. Through such quantum theoretical simulations, construction of nano-architecture, that means clarification of atom-scale mechanisms of occurrence of functions of nano- and bio-materials and then quantum design of new materials, will be realized.