Postdoc in Electrocatalysis: DFT & Atomistic Simulations

Usyd; Sydney; On-site; AUD 114,000 - 118,000; Full time

Job summary

The University of Sydney, School of Chemical and Biomolecular Engineering, invites applications for a Postdoctoral Research Associate to carry out computational electrocatalysis research contributing to GETCO2 projects. You will collaborate with experimental researchers to advance understanding of catalytic interfaces and reaction mechanisms.

We seek a PhD holder with strong electrochemistry knowledge, DFT proficiency, and experience in Python/ASE/LINUX; you will publish, mentor students and

Qualifications

• PhD completed by start date.
• Deep understanding of electrochemistry/electrocatalysis and interfacial reaction mechanisms.
• Proficiency in DFT and at least one major electronic-structure package (e.g. VASP, Quantum ESPRESSO, CP2K, GPAW).
• Strong Python, ASE, Linux/HPC, data-analysis and reproducible-workflow skills.
• Strong publication, communication and collaboration record for career stage.

Responsibilities

• 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.

Skills

Python

ASE

Linux/HPC

Data analysis

Reproducible workflows

Education

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

Tools

DFT software

Job description

The University of Sydney, School of Chemical and Biomolecular Engineering, invites applications for a Postdoctoral Research Associate to carry out computational electrocatalysis research contributing to GETCO2 projects. You will collaborate with experimental researchers to advance understanding of catalytic interfaces and reaction mechanisms.

We seek a PhD holder with strong electrochemistry knowledge, DFT proficiency, and experience in Python/ASE/LINUX; you will publish, mentor students and