Computação em química teórica: informações técnicas Computation in theoretical chemistry: technical informations

Abstract

The purpose of this work is to demonstrate the usefulness of low cost high performance computers. It is presented technics and software packages used by computational chemists. Access to high-performance computing power remains crucial for many computational quantum chemistry. So, this work introduces the concept of PC cluster, an economical computing plataform.

Keywords

• computers
• PC cluster
• theoretical chemistry