We are recruiting for a PhD student to work on the following project — Simulation-led investigation of the structure-property relationships of conjugated polymers Conjugated polymers are used in a range of applications including bioimaging/sensing [1,2]. Conjugated polymer nanoparticles (CPNs) are formed using capping agents to provide stable and soluble conjugated …
Machine learning has the potential to revolutionize the design of new functional materials, but building the large and diverse databases of molecules required for training these methods remains a challenge. Automated computational chemistry workflows have become an essential tool in this data-driven search for new materials with novel properties, providing …
In this manuscript, we provide new fundamental insights into the nanoscale structure of an archetypal donor-acceptor conjugated polymer, poly(9,9-di-n-octylfluorene-alt-benzothiadiazole (F8BT). F8BT is a widely-studied conjugated polymer, which is used in a variety of different application areas due to its bright fluorescence and biocompatibility, usually in the form of conjugated polymer …