Postdoctoral Research Associate In Electrocatalysis

Centre for Continuing Education; Sydney; On-site; AUD 114,000 - 118,000; Full time

Job summary

The University of Sydney invites applications for a Postdoctoral Research Associate in Electrocatalysis to perform computational studies of electrocatalytic reactions, surfaces, interfaces and kinetics. You will develop Python-based workflows using ASE and DFT tools, and contribute to GETCO2 projects while collaborating with experimentalists.

Applicants should have a PhD in a relevant field, strong electrochemistry knowledge, experience with DFT packages, and a proven publication track record.

Qualifications

• PhD in chemical engineering, chemistry, materials science, or closely related discipline, completed by the start date.
• Deep understanding of electrochemistry/electrocatalysis and interfacial reaction mechanisms.
• Proficiency in DFT and at least one major electronic-structure package (VASP, Quantum ESPRESSO, CP2K, GPAW).
• Strong Python, ASE, Linux/HPC, data-analysis and reproducible-workflow skills.
• Strong research publication and collaboration record suitable to career stage.

Responsibilities

• perform first-principles/DFT studies of electrocatalytic reactions, surfaces and interfaces.
• develop reproducible atomistic simulation workflows using Python, ASE and DFT software
• analyse electrochemical free-energy landscapes and connect energetics to catalysis
• apply machine-learning interatomic potentials and microkinetic models where appropriate
• collaborate with experimental researchers, publish and present results, mentor students.

Skills

Python

ASE

Linux/HPC

Data analysis

ML potentials

Publications

Collaboration

Communication

Education

PhD in chemical engineering, chemistry, materials science or closely related

Tools

VASP

Quantum ESPRESSO

CP2K

GPAW

Job description

• Full time, fixed term for 2 years
• Use your expertise in the synthesis of functional materials and their application in electrocatalytic chemical conversion
• Base Salary $113,634 - $117,936 + 17% superannuation

About the opportunity

The School of Chemical and Biomolecular Engineering at the University of Sydney, established in 1946, offered the first university-level chemical engineering program in Australia. The School is committed to teaching excellence and our graduates are highly regarded and sought after by employers in Australia and overseas. The School is research-intensive and considered a world leader in many cutting edge areas of chemical and biomolecular engineering.

We are currently seeking a Postdoctoral Research Associate to undertake computational research in electrocatalysis to contribute to the externally funded GETCO2 projects and collaborate with experimental researchers.

Your key responsibilities will be to:

• perform first-principles/DFT studies of electrocatalytic reactions, catalyst surfaces and interfaces, reaction mechanisms, activity and selectivity
• develop reproducible atomistic simulation and high-throughput workflows using Python, ASE and relevant DFT software
• analyse electrochemical free-energy landscapes and connect elementary-step energetics to catalytic performance
• apply machine-learning interatomic potentials and microkinetic models where appropriate
• collaborate with experimental researchers, publish and present research outcomes, and contribute to student mentoring and group activities.

About you

The University values courage and creativity; openness and engagement; inclusion and diversity; and respect and integrity. As such, we see the importance of recruiting talent aligned to these values and are looking for a Postdoctoral Research Associate in Electrocatalysis who has:

• a PhD in chemical engineering, chemistry, materials science, physics or a closely related discipline, completed by the start date
• deep understanding of electrochemistry/electrocatalysis and interfacial reaction mechanisms
• demonstrated proficiency in DFT and at least one major electronic-structure package (for example VASP, Quantum ESPRESSO, CP2K, GPAW or equivalent)
• strong Python, ASE, Linux/HPC, data-analysis and reproducible-workflow skills
• strong research publication, communication and collaboration record appropriate to career stage.

The following experience will be highly regarded:

• experience with machine-learning interatomic potentials (such as MACE, NequIP, GAP, DeePMD or similar)
• experience with microkinetic modelling (such as CatMAP or custom Python implementations)
• experience with constant-potential simulations, explicit-solvent methods, ab initio molecular dynamics or electrochemical-interface modelling.

Pre-employment checks and declarations

Your employment is conditional upon the successful completion of all pre-employment or background checks required for the role in terms satisfactory to the University. Also, to meet the University’s obligations under the National Higher Education Code to Prevent and Eliminate Gender-Based Violence you will be asked to declare if you have been investigated for, or found to engaged in, sexual harm or gender-based violence in the course of previous employment or in a legal process. Similarly, your ongoing employment is conditional upon the satisfactory maintenance of all relevant clearances and background check requirements. If you do not meet these conditions, the University may take any necessary step, including the termination of your employment.

EEO statement

At the University of Sydney, our shared values are trust, accountability and excellence and we strive to be a place where everyone can thrive. We are committed to creating a University community that thrives through diversity and reflects the wider community that we serve. We deliver on this through our commitment to diversity and inclusion, evidenced by our people and culture programs, as well as key strategies to increase participation and support the careers of Aboriginal and Torres Strait Islander People, women, people living with a disability, people from culturally and linguistically diverse backgrounds, and those who identify as LGBTQIA+. We welcome applications from candidates from all backgrounds.

We are proud to be recognised as an Australian Workplace Equality Index (AWEI) Platinum Employer. Find out more about our work on diversity and inclusion.

The University reserves the right not to proceed with any appointment.

Applications Close

Monday 26 October 2026 11:59 PM