In our laboratory, the main focuses of research include materials design, molecular design, etc, a field known as materials design using data mining.
We are especially interested in finding the relationships between the intrinsic molecular structure and observable properties of chemical compounds. Using atomic parameters, such as ionic radius, atomic radius, electronegativity, etc, build the quantitative and qualitative model of materials properties with data mining. Members of this research group work closely with the collection and analysis of complex data and are exposed to problems from a wide range of disciplines, ranging from molecules to materials. Our usual practice is to apply our methods to real problems provided by collaborators and by sponsors.
In our laboratory, we developed Chemical Intelligence Laboratory website providing web services which use data mining algorith to build models, predict materials properties, analysis results. And also this website contains perovskite database which not only provides the several confirmed perovskite properties collecting from literatures, but also it can give a prediction for the perovskite properties which has not been determined, based on the QSPR models which we published before.