Solving the solvent problem in chemical modelling

该项目旨在利用跨学科的理论化学技术生产高精度、用户友好的化学溶剂模型。这些新模型的好处是极其广泛的，因为在解决多方面的现代化学问题方面，化学建模比传统的基于实验室的技术更有影响力。该项目的拟议成果意义重大，因为它们将改变应用研究解决困难和昂贵的现实世界化学问题的方式，使研究人员能够可靠地在他们的模型中包括溶剂。它将给澳大利亚的化工、采矿和材料行业带来经济效益，这些行业代表着数十亿美元的行业。

This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficult and expensive real world chemical problems by allowing researchers to reliably include solvents in their models. It will have economic benefits for the chemical, mining and materials sectors in Australia, which represent billion-dollar industries.