Computational Studies of Anti-Cancer Photochemistry

这是一个化学博士研究项目。该项目将涉及广泛的电子结构方法来模拟光活化抗癌药物。最初的重点将是过渡金属化合物的相关治疗，并可能涉及方法的发展和应用新的多参考技术和混合方法来处理复杂的环境。进一步的工作将朝着更大的分子和超分子体系的光化学。也将有机会考虑上述光化学中的多态非绝热动力学效应。

This is a PhD research project in Chemistry. The project will a involve a wide range of electronic structure methods to model photoactivated anti-cancer drugs. Initial emphasis will be on correlated treatments of transition metal compounds, and may involve methodological development and application of novel multi-reference techniques and hybrid methods to treat complex environments. Further work will be toward the photochemistry of larger molecular and supramolecular systems. There will also be the opportunity to consider multi-state non-adiabatic dynamical effects in the photochemistry listed above.