PhD Studentship: Integrating computational physics-based simulation and machine learning with d[...]

Award Summary

100% home fees covered, and a minimum tax‑free annual living allowance of £19, /25 UKRI rate). An additional allowance will be provided to contribute towards consumables, equipment, and travel related to the project.

Overview

Machine learning aims to transform the drug discovery landscape through the prediction of potential new therapeutics with unprecedented speed and accuracy. Yet this approach works best when combined with physics‑based modelling, in which the interactions between potential drugs and their target receptor are explicitly modelled at the atomic scale. In our previous work we have shown that classical (force field) models with novel functional forms have the flexibility to model interactions in the condensed phase with higher accuracy than traditional (Lennard‑Jones based) models.

Responsibilities

The student will further incorporate high‑level quantum mechanical data and machine learning to improve the ...

Ready to Apply?

Submit your application today and join our talented team at Newcastle University.