Developing Accurate Structural Models and Transferable Potentials for Multicomponent Glasses using Dissolve.

solve是一种模拟和询问全散射数据的新代码。它实现并建立在经验势结构精化（EPSR）方法的基础上，以提供下一代多尺度系统的模拟。然而，虽然EPSR在液体界得到了广泛的应用，但它并没有被玻璃研究人员广泛采用。该博士项目将专注于修改“溶解”代码，以提高其对玻璃科学家使用的适用性，以更好地支持ISIS的玻璃研究项目。

Dissolve is a new code for simulating and interrogating total scattering data. It implements and builds upon the methodology of Empirical Potential Structure Refinement (EPSR) to provide next-generation simulation of multi-scale systems. However, while EPSR is used widely by the liquids community, it has not been extensively taken up by glass researchers. This PhD project will focus on adapting the code for Dissolve to improve its suitability for use by glass scientists, to better support the glass research program at ISIS.