Computação em química teórica: informações técnicas

Química Nova

Nelson Henrique Morgon¹ 

[1] ,Universidade Estadual de Campinas Instituto de Química Departamento de Físico-QuímicaCampinas SP

关键词: computers;    PC cluster;    theoretical chemistry;   

DOI  :  10.1590/S0100-40422001000500015

来源: SciELO

【 摘 要 】

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.

【 授权许可】

CC BY-NC   
 All the contents of this journal, except where otherwise noted, is licensed under a Creative Commons Attribution License