Gordon Group Research Interests

The research performed by the ISU quantum chemistry group comprises a broad spectrum of developments and applications in ab initio electronic structure theory. The main theme of this research is the accurate elucidation of complex structures and mechanisms in organic and organometallic chemistry, in both the gas phase and in solution. Of particular interest to us are:

In order to investigate such a diverse chemical array of chemical phenomena, we are engaged in the development of several electronic structure tools and in the implementation of these tools into an electronic structure computer program. Among the important new methods currently under development are:

To facilitate calculations such as those described above, our group develops, maintains and distributes (free of charge) the popular electronic structure suite of programs called GAMESS (General Atomic and Molecular Electronic Structure System). Because GAMESS is distributed freely, the development of the code benefits from contributions from many collaborators located around the world, in academia, government laboratories and industry. Among the many features of GAMESS, the most exciting are its enhanced performance due to a fully parallel implementation and the advantage it takes of modern graphics methods.