The Theoretical Chemistry and Molecular Design Calculation Research Institute of Fuzhou University was founded in September 2001. It has claimed for itself a certain place and fame in Theoretical Chemistry at home and abroad. The main purpose of its establishment is to step up the disciplinary development of Physical Chemistry and Theoretical and Computational Chemistry, and to promote the cultivation of scientific researchers in Theoretical Chemistry. At present, the institute has 8 permanent researchers, including 3 doctoral supervisors and 31 doctoral and master students.
The major research directions of the Institute include the following fields: modern theories and calculational methods for chemical bonds, structure and reactivity of atoms and nanoclusters, theoretic chemical methods and applications of solid surfaces, and the microstructure of materials as well as their photoelectric properties.
Currently, there are more than 60 highly configurable computers, 1 SGI/O350 (32CPU) work station, and 1 Lenovo HPC (220CPU) in the Institute. Meanwhile, it is equipped with a series of software of Theoretical Chemistry and Material Science universally used in the world, including Gaussian03, ADF, Molpro, CRYSTAL, VASP, Materials Studio, and so on. Furthermore, a lot of theoretical chemistry software with self-reliant intellectual property rights has also been designed and developed.
The faculty members in the Institute have so far undertaken more than 20 scientific projects, including those funded by the National Natural Science Foundation and Major Special Project of Scientific Research. More than 300 research papers and 2 books have been published at home and abroad. The research fruits have won awards at both provincial and ministerial levels. Ever since its establishment, it has cultivated more than 50 doctoral and master’s degrees holders. Many members in the Institute are very active in academic exchanges with researchers from other research groups at home and abroad and some of them have been invited to attend international or national academic symposiums to give lectures. Some have been toAmerica,UK, andItalyfor scientific research cooperation or for post-doctoral research.
