Postdoctoral Fellow – Atomic-scale modelling of hydrogen embrittlement

UNSW; Montreal; On-site; CAD 98,000 - 106,000; Full time

Job summary

A leading university in Australia is seeking a Postdoctoral Fellow to focus on atomic-scale modeling of hydrogen embrittlement. The successful candidate will conduct ab-initio and molecular dynamics simulations and develop inter-atomic potentials. This full-time role offers a competitive salary and is part of a collaborative research project, providing a unique opportunity to contribute to advanced materials science. Applications close on August 11, 2025.

Benefits

17% superannuation

Diverse and inclusive workplace

Flexible work options

Qualifications

• Previous research experience in computational materials science.
• Familiarity with machine-learning approaches for inter-atomic potential development.

Responsibilities

• Perform ab-initio and molecular dynamics simulations.
• Develop inter-atomic potentials using classical and machine-learning approaches.
• Model hydrogen trapping at defects and quantify quantum tunneling in hydrogen mobility.

Skills

Strong coding skills (Python, Matlab, shell, C)

Experience with atomic-scale simulations (DFT, molecular dynamics)

Knowledge of inter-atomic potential development (classical or ML)

Ability to conduct independent, high-quality research

Publication and conference presentation record

Interpersonal skills, teamwork, collaboration

Education

PhD or relevant experience in a related field

Job description

Postdoctoral Fellow – Atomic-scale modelling of hydrogen embrittlement

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The Opportunity

We are welcoming applications for a Postdoctoral Research Associate as part of a recently awarded ARC discovery project between UNSW Sydney and the University of Sydney. The goal of the project is to determine how hydrogen affects deformation at different microstructural features in alloys, to aid future alloy design. The UNSW team, led by A/Prof Patrick Burr, will provide the modelling contributions, while the team at USyd, led by Prof Julie Carney and Dr Ranming Liu, handles the experimental work. The candidate is expected to integrate modelling with experimental tasks. For more information on A/Prof Patrick Burr's research group, visit https://www.patrickburr.com/group

This Job is based in Australia

Responsibilities

You will perform ab-initio and molecular dynamics simulations, develop inter-atomic potentials using classical and machine-learning approaches, model hydrogen trapping at defects, create high-fidelity atom probe models, quantify quantum tunnelling in hydrogen mobility, and simulate hydrogen redistribution within microstructural features.

This role is suited for candidates with a strong background in computational materials science.

The position reports to A/Prof Patrick Burr and has no direct reports.

• Salary (Level A) – AUD $110,059 to $117,718 per annum + 17% superannuation
• Full-time, fixed-term contract – 2 years
• Location: Kensington, Sydney, Australia

About Us

UNSW is a diverse community committed to impactful research and education. Our School of Mechanical and Manufacturing Engineering is ranked #49 globally (QS 2023) and #36 in Mechanical Engineering (ARWU 2023). We excel in Aerospace, Mechanical, and Manufacturing Engineering. Learn more at https://www.unsw.edu.au/engineering/our-schools/mechanical-and-manufacturing-engineering

The UNSW Nuclear Innovation Centre, launched in February 2024, promotes cross-disciplinary collaboration in nuclear science, focusing on medicine, materials, waste management, space, and mining. More info at https://www.unsw.edu.au/research/nuclear-innovation-centre

Skills & Experience

• PhD or relevant experience in a related field
• Strong coding skills (Python, Matlab, shell, C)
• Experience with atomic-scale simulations (DFT, molecular dynamics)
• Knowledge of inter-atomic potential development (classical or ML)
• Proactive in keeping up with discipline developments
• Ability to conduct independent, high-quality research
• Publication and conference presentation record
• Supervision or mentoring experience (desirable)
• Interpersonal skills, teamwork, collaboration
• Understanding of UNSW’s values and policies
• Commitment to health and safety

Further details are available in the position description via JOBS@UNSW.

To Apply: Submit your CV, Cover Letter, and responses to the Skills & Experience criteria through the apply button. Address all listed skills and experience.

Applications sent to the contact below will not be accepted.

Contact: Eugene Aves – Talent Acquisition Consultant

Email: [e-mail]

Application deadline: 11:55 pm (Sydney time), Monday 11 August 2025

UNSW values diversity and inclusion, welcoming applications from all backgrounds, including Indigenous peoples, people with disabilities, and those with caring responsibilities. We offer workplace adjustments and flexible work options. The University reserves the right not to proceed with any appointment.