Efficient calculation of nonequilibrium steady state properties

Nonequilibrium steady states are all around us, yet they remain difficult to treat with existing theory. Furthermore, calculating their properties requires first bringing a system from equilibrium to the steady state, which can be computationally expensive and time-consuming. You will aim to improve the efficiency of molecular dynamics simulations used to calculate these properties by developing new theory and methods based in response theory and machine learning. Your goal is to reduce the time needed to reach the steady state and make better use of available data once it is reached. Such methods could be applied to a variety of interesting systems important to solving real-world challenges, including lubricants, electrolytes, and thermal insulators and conductors.

This project will be conducted within the AIBN at UQ, where you will work with leading experts in nonequilibrium statistical mechanics and molecular dynamics simulation. The UQ Research Computing Centre provides access to a large-scale high performance computing facility, and further access to national computing facilities will also be available. The project strongly aligns with research strengths at UQ in Mathematical Physics (0105), Condensed Matter Physics (0204), and Theoretical and Computational Chemistry (0307); UQ has a 2018 ERA ranking above or well above world average (rating 4 or 5 out of 5) in all of these disciplines.

This is an Fellowship support scheme scholarship project that aligns with a recently awarded Australian Government grant.

The scholarship includes:

• living stipend of $37,500 per annum tax free (2026 rate), indexed annually
• your tuition fees covered

Learn more about the Fellowship support scheme scholarship.

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 _molecular dynamics simulations, dynamical systems, statistical mechanics, and/or machine learning would be of benefit to someone working on this project.

You will demonstrate academic achievement in the field(s) of _mathematics, physics, computational chemistry and/or computer science and the potential for scholastic success.

A background or knowledge of dynamical systems, molecular dynamics simulation, machine learning or control systems is highly desirable.

This project requires candidates to commence no later than Research Quarter 1, 2027. You can start in an earlier research quarter.

You must submit an expression of interest (EOI) by the closing date for the research quarter (RQ) you want to start in:

Before you apply

1. Check your eligibility for the Doctor of Philosophy (PhD).
2. Prepare your documentation.
3. If you have any questions about whether the project is suitable for your research interests, contact Dr Stephen Sanderson (stephen.sanderson@uq.edu.au).

When you apply

To apply, submit an expression of interest (EOI) for the program. You don't need to apply separately for the project or scholarship. How to submit an EOI

In your EOI, complete the 'Scholarship/Sponsorship' section with the following details:

1. Are you applying for an advertised project: 'Yes'
2. Project: 'Fellowship project scholarship'
3. Scholarship Code Listed in the Advertisement: NONEQUILIBRIUM-SANDERSON
4. Link to Scholarship Advertisement: https://study.uq.edu.au/study-options/phd-mphil-professional-doctorate/projects/efficient-calculation-nonequilibrium-steady-state-properties

Submit an EOI