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University of Waikato

PhD in Hydrogenation and Dehydrogenation Mechanisms in High-Entropy Alloys through Atomic-Scale Modelling University of Waikato in New Zealand

Degree Level

PhD

Field of study

Chemistry

Funding

Opportunity with funding, but no University, supervisor-held, or project-specific funding is available outside the Omani Ministry of Higher Education, Research and Innovation scholarship pathway. Funding is available only for Omani applicants through that scholarship pathway; non-Omani students may apply but are not funded by this project.

Deadline

Dec 1, 2026

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Country

New Zealand

University

University of Waikato

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Keywords

Chemistry
Materials Science
Density Functional Theory
Hydrogen Storage
High-entropy Alloy
Physics
Computational Materials Science

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About this position

PhD opportunity at the University of Waikato (Hamilton Campus, New Zealand) in high-entropy alloys, hydrogen storage, and atomic-scale modelling. The project investigates hydrogenation and dehydrogenation mechanisms in HEAs using first-principles density functional theory (DFT) simulations, with a focus on how composition and atomic-scale structure affect hydrogen absorption/desorption behaviour and the underlying thermodynamic and kinetic mechanisms.

This is an international collaboration involving Professor Fei Yang (University of Waikato), Brandon Wood (Lawrence Livermore National Laboratory, US), and Paul Jerabek (Helmholtz-Zentrum Hereon, Germany).

Funding: The opportunity is intended only for applicants eligible or intending to apply through the Omani Ministry of Higher Education, Research and Innovation scholarship pathway. No university-, supervisor-, or project-specific funding is available outside that pathway. Non-Omani students may apply, but the funded opportunity is only available to Omani applicants through the Ministry scholarship route.

Eligibility: Applicants should be eligible for PhD enrolment at the University of Waikato and hold a Master's degree in Materials Science, Materials and Process Engineering, Physics, or a closely related discipline. Prior experience with DFT / first-principles computational simulations and strong analytical/problem-solving skills are expected.

How to apply: Interested applicants should contact the supervisor with a CV, transcripts, and a brief statement of research interests and fit. Suitable applicants may then be invited to apply formally for PhD admission. Omani scholarship applicants must also meet the Ministry’s eligibility requirements.

Deadline: 01 Dec 2026.

Funding details

Opportunity with funding, but no University, supervisor-held, or project-specific funding is available outside the Omani Ministry of Higher Education, Research and Innovation scholarship pathway. Funding is available only for Omani applicants through that scholarship pathway; non-Omani students may apply but are not funded by this project.

What's required

Applicants should be eligible to enrol for a PhD at the University of Waikato. A Master's degree in Materials Science, Materials and Process Engineering, Physics, or a closely related discipline is required. Applicants should have demonstrated experience in first-principles computational simulations such as density functional theory (DFT) and strong analytical and problem-solving skills.

How to apply

Review the project details on the University of Waikato Find a PhD Opportunity page. Email the supervisor with a CV, transcripts, and a brief statement of research interests and fit. Suitable applicants may then be invited to apply formally for PhD admission, and Omani scholarship applicants must also meet Ministry eligibility requirements.

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