中文摘要：

基于网格计算思想，提出集成远程高性能计算硬件、软件资源和计算前、后处理功能的高性能计算化学应用模型．并基于此模型开发了GridMol系统。GridMol采用Browser/Server结构设计，服务器端通过网格中间件提交高性能计算作业高效利用网格中的备种硬件、软件资源，浏览器端GridMol提供图形化的计算化学前、后处理功能，如蛋白质可视化和分子建模处理。GridMol基于Java和Java3DAPI设计实现，系统具有跨平台和网络运行等优点，目前GridMol已集成在中国国家网格（CNGrid）平台上。

英文摘要：

Based on the idea of grid computing, we proposed the high performance computational chemistry application model which integrates not only hardware and software resources on remote high performance computers but also local pre-processing and post-processing function. GridMol is developed by following this model, and its system design is Browser/Server. GridMol communicates with remote high performance computers through grid middleware job submission. In addition, GridMol provides graphical interface for molecular visualization and molecular building via browser. This system is implemented using Java and Java 3D API and it is operating-system-independent and networkrunning. Now GridMol has been integrated in China National Grid platform （CNGrid）.