Computational chemistry is the study of molecular systems by computational techniques. These techniques include quantum chemistry, molecular dynamics and Monte Carlo, combinations of them, and, more recently, data mining and informatics. The field of computational chemistry has had extensive impact in the areas of drug design, materials science, environmental chemistry and chemical engineering. This meeting is for leaders in the field of computational chemistry algorithm development and those engaged in its application to important scientific and technological problems.

The development of new and efficient algorithms that enable us to address larger and more diverse types of materials and phenomena, together with the greater availability of low cost computing, have caused a large increase in the use of computational chemistry techniques in areas such as computational biology and nanotechnology.

The 2004 conference will not only continue its traditional emphasis (applications of computational chemistry to biological phenomena), it will also expand its scope to include topics not previously addressed, such as those related to molecular bio-nanotechnology and environmental computational chemistry. A number a experimentalists have also been invited to challenge the theoretical chemistry community with new and interesting problems in technologically significant and fundable areas.