The Computational Materials Design (CMD) group of Osaka University uses multi-scale simulations based on quantum mechanics and collaborates with various experimental groups to conduct world-class research on structures, electronic states, and chemical reaction processes on solid surfaces and interfaces. This simulation technology is focused on fields related to industry, energy, and environment, which are expected to influence the future development of our society. These include catalysts, fuel cells, solar cells, and semiconductor devices for energy saving and production.

On the other hand, partner countries from the Core-to-Core Program focuse on the effective utilization of natural gas, minerals, and forest resources to address the increasing energy demands due to economic growth and environmental damages caused by natural disasters.

Furthermore, a university education focusing on fundamental research in nanotechnology is necessary to link theoretical research through quantum simulations and experiments to solve these social issues.

The Core-to-Core Program aims to establish a strong network of researchers from Japan, including the CMD group of Osaka University (quantum simulations), University of Tokyo (measurement), University of Tsukuba (catalysts and materials), and research institutions in partner countries.

We hold seminars and workshops for young students and researchers under short-term, masters/doctor degree, and double-degree programs to promote the CMD method in elucidating the fundamental properties of materials and designing new devices for energy and environmental problems.