计算化学使用计算机和软件来建模化学系统的行为和特性，从单个原子到生物中发现的大蛋白质。这些模型导致了新药物和医学材料分子的设计，以及存储和运输能量和信息的新方法。化学系拥有最先进的光谱学和其他分析仪器以及ACEnet的高性能计算机设施。我们还为化学专业和荣誉学生提供了广泛的计算设施。
Computational chemistry uses computers and software to model the behaviour and properties of chemical systems, from individual atoms to the large proteins found in living things. These models lead to the design of molecules for new drugs and materials in medicine, and new ways to store and transport energy and information.; The Department of Chemistry has state-of-the-art spectroscopic and other analytical instrumentation as well as high performance computer facilities such as ACEnet.