Our research focuses on the development of novel computational methods for the prediction of material properties and functions. Molecular design, i.e., the design of materials from the chemical structure of molecules, has become an important approach for the development of new materials. However, conventional approach of finding the link between property and molecular structure based on experimental trial and error is often costly and time-consuming. Recent advances in computational techniques, including machine learning, can now provide a new alternative for material development. Contact us if you would like to know more about our approach to molecular design.