Welcome to Laboratory of Computational Chemistry

In our laboratory, the main focuses of research include materials design, molecular design, molecular dynamics, database and industrial optimization etc, a field known as computer chemistry.

We are especially interested in chemical data mining methods and applications. 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.