Postdoctoral Researcher in 2D Materials: DFT and Machine-Learning-Driven Atomistic Modelling
Cork, Cork, Ireland
Full Time
Research
Experienced
Postdoctoral Researcher in 2D Materials: DFT and Machine-Learning-Driven Atomistic Modelling
About Tyndall
Tyndall National Institute is an international leader in semiconductors, photonics and deep-tech research and innovation. As a leading collaborative European research institute, Tyndall is a key actor and hosting partner in the delivery of the ‘Chips for Europe Initiative’ (EU Chips Act).
Tyndall is Ireland’s leading research and innovation organisation and it is the national focal point for excellence in deep-tech research, development and graduate training at the convergence of nanotechnology, microelectronics, photonics, electronics and AI. Tyndall is recognised as an international research leader in semiconductor, chip and digital technologies, particularly as applied to the fields of Information & Communications, Health & Life Sciences, Agritech & Food Security, Energy and Climate Mitigation, emerging fields such as quantum, and novel computing paradigms.
The Institute’s key objective is to see frontier research activities having a significant impact on economic development and societal challenges in Ireland, Europe and beyond. Central to Tyndall’s mission is delivering economic impact through research excellence in partnership with industry and academia. With an annual turnover of more than €50m, the Institute has a community of over 600 researchers, engineers, support staff, postgraduate students, interns and industry researchers-in-residence.
With significant committed Irish government support, Tyndall will grow to be 1,000 people by 2030, with approximately 750 researchers, including 250 PhD students. A new 17,000 m2 research building is under development adjacent to the Cork headquarters and there are developing plans to expand Tyndall’s existing Dublin research labs and to establish other research sites within Ireland.
Tyndall’s expansion is also supported by recent national and EU funding wins for significant (M€10’s) additional research equipment across a range of areas such as semiconductor processing, microscopy, quantum technologies, heterogeneous integration, ultra-high speed optical communications and RF through THz characterisation.
About the Team
We are seeking a highly motivated postdoctoral researcher to join the 2D Materials and Devices Engineering (2D-MADE) Research Team within the Nanoelectronics Materials and Devices (NMD) Group at Tyndall National Institute. The 2D-MADE team is a dynamic, interdisciplinary group comprising PhD students, postdoctoral researchers, and research professionals working on cutting-edge research in two-dimensional materials and devices.
About the Role
This postdoctoral position is part of a research project funded by Research Ireland and carried out in close collaboration with Intel and Synopsys as the project’s industry partners. The project aims to develop an experimentally validated, physics-based, multi-scale modelling framework that accurately captures the properties of large-area grown transition metal dichalcogenides (TMDs), including grain boundaries, point defects, and interfaces, informed by experimental data.
The successful candidate will focus on atomistic modelling and machine-learning-based force-field development. The role will involve density functional theory (DFT) simulations of pristine and defective TMDs and their interfaces with metals and dielectrics, followed by the development and calibration of machine-learned interatomic potentials to enable fast and accurate simulations of complex material systems.
Working closely with experimental researchers, and using datasets generated within the project, the postdoctoral researcher will incorporate experimentally realistic material parameters into atomistic simulations. In collaboration with Synopsys and Intel, this work will contribute directly to the development of next-generation modelling tools for nanoelectronic device design, supporting the development of high-performance and low-power technologies based on 2D materials.
Key Duties & Responsibilities
Contract Category: Full-Time (12 months, with potential extension)
Contract Type: Fixed Term
Appointment may be made on the New Post Doctoral Researcher Scale Level 2A (points 1 - 3) salary €46,306 - € 48,896 per annum. Salary placement on appointment will be in accordance with the public sector pay policy.
Informal enquiries can be made in confidence to Dr Farzan Gity and Dr Lida Ansari .
Closing date for applications for this position is 27 February 2026.
Application Instructions
Please make sure to attach an up-to-date CV/Resume AND a brief motivation letter outlining how you meet the ‘Essential Criteria’ for this role.
Please note that Garda vetting and/or an international police clearance check may form part of the selection process.
Please note that an appointment to posts advertised will be dependent on university approval, together with the terms of the employment control framework for the higher education sector.
Tyndall National Institute does not require the assistance of recruitment agencies.
Tyndall National Institute at University College, Cork is an Equal Opportunities Employer.
About Tyndall
Tyndall National Institute is an international leader in semiconductors, photonics and deep-tech research and innovation. As a leading collaborative European research institute, Tyndall is a key actor and hosting partner in the delivery of the ‘Chips for Europe Initiative’ (EU Chips Act).
Tyndall is Ireland’s leading research and innovation organisation and it is the national focal point for excellence in deep-tech research, development and graduate training at the convergence of nanotechnology, microelectronics, photonics, electronics and AI. Tyndall is recognised as an international research leader in semiconductor, chip and digital technologies, particularly as applied to the fields of Information & Communications, Health & Life Sciences, Agritech & Food Security, Energy and Climate Mitigation, emerging fields such as quantum, and novel computing paradigms.
The Institute’s key objective is to see frontier research activities having a significant impact on economic development and societal challenges in Ireland, Europe and beyond. Central to Tyndall’s mission is delivering economic impact through research excellence in partnership with industry and academia. With an annual turnover of more than €50m, the Institute has a community of over 600 researchers, engineers, support staff, postgraduate students, interns and industry researchers-in-residence.
With significant committed Irish government support, Tyndall will grow to be 1,000 people by 2030, with approximately 750 researchers, including 250 PhD students. A new 17,000 m2 research building is under development adjacent to the Cork headquarters and there are developing plans to expand Tyndall’s existing Dublin research labs and to establish other research sites within Ireland.
Tyndall’s expansion is also supported by recent national and EU funding wins for significant (M€10’s) additional research equipment across a range of areas such as semiconductor processing, microscopy, quantum technologies, heterogeneous integration, ultra-high speed optical communications and RF through THz characterisation.
About the Team
We are seeking a highly motivated postdoctoral researcher to join the 2D Materials and Devices Engineering (2D-MADE) Research Team within the Nanoelectronics Materials and Devices (NMD) Group at Tyndall National Institute. The 2D-MADE team is a dynamic, interdisciplinary group comprising PhD students, postdoctoral researchers, and research professionals working on cutting-edge research in two-dimensional materials and devices.
About the Role
This postdoctoral position is part of a research project funded by Research Ireland and carried out in close collaboration with Intel and Synopsys as the project’s industry partners. The project aims to develop an experimentally validated, physics-based, multi-scale modelling framework that accurately captures the properties of large-area grown transition metal dichalcogenides (TMDs), including grain boundaries, point defects, and interfaces, informed by experimental data.
The successful candidate will focus on atomistic modelling and machine-learning-based force-field development. The role will involve density functional theory (DFT) simulations of pristine and defective TMDs and their interfaces with metals and dielectrics, followed by the development and calibration of machine-learned interatomic potentials to enable fast and accurate simulations of complex material systems.
Working closely with experimental researchers, and using datasets generated within the project, the postdoctoral researcher will incorporate experimentally realistic material parameters into atomistic simulations. In collaboration with Synopsys and Intel, this work will contribute directly to the development of next-generation modelling tools for nanoelectronic device design, supporting the development of high-performance and low-power technologies based on 2D materials.
Key Duties & Responsibilities
- Perform DFT simulations of pristine and defective 2D TMDs, including grain boundaries, point defects, and metal/dielectric interfaces
- Develop and train machine-learned interatomic potentials with DFT-level accuracy
- Validate ML force-fields against DFT calculations and experimentally generated datasets obtained within the project
- Analyse defect-induced structure-property relationships in TMDs
- Work closely with the experimental team and partners to incorporate realistic material parameters into simulations
- Work with the supervisor and other team members to deliver the project’s scientific goals
- Contribute to integration of atomistic simulation outputs into higher-level multi-scale models, and the development of a material-focused digital twin concept for 2D materials and devices
- Partner effectively with the project’s industrial and academic partners to advance the project
- Contribute to co-supervision and provide day-to-day guidance, mentoring, and support to research students and junior team members
- Rigorously disseminate research findings through peer-reviewed publications and conference presentations
- Demonstrate an independent, unbiased and proactive approach to advancing the project
- Contribute to the preparation of grant proposals and funding applications, and to the assessment of research findings for potential commercial exploitation, in conjunction with the supervisor.
- Engage in appropriate training and development opportunities to enhance transferable skills, career and reputation
- Participate in Education and Public Engagement activities, as required
- Ensure compliance with Tyndall’s Quality Management Systems, Health and Safety standards, and other regulations
- To carry out any additional duties that may reasonably be required within the general scope and level of the post.
- A PhD (or near completion, with the PhD awarded by the start date) in Physics, Materials Science, Electrical Engineering, or a closely related discipline, with a strong focus on 2D materials or nanoelectronic devices
- Strong background in density functional theory (DFT) and atomistic simulations using software such as QuantumATK or Quantum ESPRESSO
- Proven understanding of the physics of defects, interfaces, and carrier transport in transition metal dichalcogenides (TMDs)
- A strong publication record in 2D materials, nanoelectronics, or related computational materials research
- Ability to work on own initiative and collaboratively as part of an interdisciplinary theory–experiment research team
- Demonstrated ability to work with consistent follow-through, strong attention to detail, and effective prioritisation of tasks to meet deadlines with minimal supervision
- Excellent analytical, scientific writing, communication, and organisational skills
- Demonstrated experience contributing to grant proposals or funding applications (evidence of successful grants is a strong advantage)
- Experience modelling realistic, non-ideal materials, including defects, and interfaces
- Familiarity with multi-scale modelling concepts and/or links between atomistic simulations and device-level models
- Experience with machine learning methods applied to atomistic modelling, including the development and training of interatomic potentials and/or molecular dynamics simulations
- Demonstrated ability to manage time, priorities, and research activities effectively
- Evidence of capability in idea generation and delivery of successful research projects
What We Offer
Apart from offering a position in a very successful and positive research environment, with a collaborative ethos full of diverse competencies to boost your career, we offer the following:
- Impactful Work: Opportunities to contribute to ground-breaking research and innovation that shape Ireland’s economy and the society at large.
- Continuous Learning: Strong support for formal training, further study and professional development.
- Interdisciplinary Environment: Where academia, industry, and innovation intersect - supported by cutting-edge infrastructure and expert knowledge.
- Blended Working: Flexibility to work remotely and on-site, where the role allows.
- Comprehensive Benefits: Access to UCC pension, long-term illness benefit, life assurance, and more.
- Generous Leave: Competitive annual leave entitlements.
- Equity & Inclusion: Athena Swan Bronze award holder, with ongoing initiatives led by a dedicated People and Culture team to ensure equity for all.
- Core Values: A culture grounded in Ambition, Collaboration, Diversity, Excellence, and Integrity.
- Entrepreneurial Spirit: A proactive, innovation-driven environment that welcomes entrepreneurial and creative thinkers, including those with start-up experience.
- Supportive Onboarding: Structured induction and mentoring to help new hires integrate and thrive.
- Vibrant Culture: A collaborative, people-first workplace with a strong sense of community.
Contract Category: Full-Time (12 months, with potential extension)
Contract Type: Fixed Term
Appointment may be made on the New Post Doctoral Researcher Scale Level 2A (points 1 - 3) salary €46,306 - € 48,896 per annum. Salary placement on appointment will be in accordance with the public sector pay policy.
Informal enquiries can be made in confidence to Dr Farzan Gity and Dr Lida Ansari .
Closing date for applications for this position is 27 February 2026.
Application Instructions
Please make sure to attach an up-to-date CV/Resume AND a brief motivation letter outlining how you meet the ‘Essential Criteria’ for this role.
Please note that Garda vetting and/or an international police clearance check may form part of the selection process.
Please note that an appointment to posts advertised will be dependent on university approval, together with the terms of the employment control framework for the higher education sector.
Tyndall National Institute does not require the assistance of recruitment agencies.
Tyndall National Institute at University College, Cork is an Equal Opportunities Employer.
Apply for this position
Required*