Tag: PySoftK

PhD studentship, Recruitment

We are recruiting for a PhD student!

 , , , 0

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 …

Papers, Software development

New Paper: “Modular software for generating and modelling diverse polymer databases”

 , , , , , , , , 0

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 …