Enhanced force fields for computational drug design and materials research

Project opportunity

This Earmarked Scholarship project is aligned with a recently awarded Category 1 research grant. It offers you the opportunity to work with leading researchers and contribute to large projects of national significance.

The aim of the project is to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules in different environments. Areas of interest include the prediction of alternative protonation and tautomeric states of drug molecules bound to therapeutic targets as well  as improving the description of inter-molecular  interactions in blends of organic semi-conductor materials used applications such as organic light emitting diodes.

Scholarship value

As a scholarship recipient, you'll receive: 

  • living stipend of $32,192 per annum tax free (2023 rate), indexed annually
  • tuition fees covered
  • single Overseas Student Health Cover (OSHC)


Emeritus Professor Alan Mark

School of Chemistry & Molecular Biosciences

Email: a.e.mark@uq.edu.au

Preferred educational background

Your application will be assessed on a competitive basis.

We take into account your

  • previous academic record
  • publication record
  • honours and awards
  • employment history.

A working knowledge of atomistic molecular dynamics simulations and force field parameterization would be of benefit to someone working on this project.

The applicant will demonstrate academic achievement in the field(s) of physical chemistry, biophysical chemistry, mathemerics or computational sciences and the potential for scholastic success.

A background or knowledge of biomolecular structure is highly desirable.

Latest commencement date

If you are the successful candidate, you must commence by Research Quarter 2, 2023. You should apply at least 3 months prior to the research quarter commencement date.

If you are an international applicant, you may need to apply much earlier for visa requirements.

How to apply

You apply for this project as part of your PhD program application.

View application process