Summary
University College Dublin (UCD) is inviting applications for a fully funded 4-year PhD position in Computational Quantum Materials Research within the School of Physics and the Computational Materials Research group led by Asst. Prof. Nuala Caffrey.
Funded through the Research Ireland Frontiers for the Future project “Quantum Lego,” the research will explore next-generation quantum materials by combining first-principles calculations, atomistic modelling, high-performance computing, and machine-learning-assisted materials modelling.
Fully Funded 4-Year PhD Position in Computational Quantum Materials Research at University College Dublin, Ireland
Designation
PhD Researcher – Computational Quantum Materials Research
Research Area
- Computational Materials Science
- Quantum Materials
- Two-Dimensional (2D) Materials
- 2D Metal–Organic Frameworks (2D-MOFs)
- Ferroelectricity
- Electronic Structure Theory
- Atomistic Modelling
- Machine Learning for Materials
- High-Performance Computing
- Spintronics and Quantum Technologies
Location
School of Physics, University College Dublin (UCD), Dublin, Ireland
PhD Project Focus
Electrically Tunable 2D-MOF Interfaces
The project will investigate how switchable ferroelectric polarization can control the morphology of 2D metal–organic frameworks at 2D interfaces. The research will explore how ferroelectric polarization and surface charges influence molecule–surface anchoring and whether this can enable dynamic, bistable switching of 2D-MOF network structures.
The work could contribute to the development of voltage-controlled quantum functionality for future electronic and spintronic technologies.
Eligibility / Qualification
Applicants must:
- Qualify for EU fee status under UCD regulations.
- Hold a 4-year Bachelor’s degree, or a 3-year Bachelor’s degree plus Master’s degree, in Physics or a related discipline.
- Meet UCD’s English language requirements.
- Have essential experience with scientific programming, such as Python, C, or similar languages.
Desirable but not required:
- Electronic structure theory
- Atomistic simulations
- Machine learning
- High-performance computing
- Computational materials research experience
Job Description
The successful PhD candidate will:
- Conduct computational research on 2D quantum materials and 2D-MOF interfaces.
- Investigate ferroelectric polarization effects at material interfaces.
- Use first-principles electronic structure calculations and atomistic modelling.
- Apply high-performance computing techniques to materials simulations.
- Explore machine-learning-assisted approaches to materials modelling.
- Study electrically controlled structural, electronic, and spin properties.
- Work within the collaborative Quantum Theory research environment at UCD.
- Contribute to research aimed at developing dynamically tunable quantum materials.
Funding & Benefits
- Duration: 4 years
- Stipend: €25,000 per year (net)
- Tuition Fees: Covered for students qualifying for EU fee status
- Travel Support: €1,500 per year
- Equipment Budget: €5,000 total
- Expected Start Date: January 2027
How to Apply
Applicants should submit one PDF file by email to:
The PDF should contain:
- Academic CV
- One-page statement describing research interests and motivation
- Contact details of two academic referees
Informal enquiries are also welcome at nuala.caffrey@ucd.ie.
Last Date for Apply
Applications are reviewed on a rolling basis until the position is filled.
Expected start: January 2027
