Postdoctoral Researcher in Computational Materials Design for Hydrogen Storage

Job title:

Postdoctoral Researcher in Computational Materials Design for Hydrogen Storage

Company:

Trinity College Dublin

Job description

Job Information Organisation/CompanyTrinity College Dublin School of Chemistry DepartmentSchool of Chemistry Research FieldChemistry » Computational chemistry Researcher ProfileRecognised Researcher (R2) PositionsPostdoc Positions CountryIreland Application Deadline31 Aug 2025 – 18:00 (Europe/Dublin) Type of ContractTemporary Job StatusFull-time Hours Per Week39 Offer Starting Date1 Sep 2025 Is the job funded through the EU Research Framework Programme?Horizon 2020 Reference Number101191948 Is the Job related to staff position within a Research Infrastructure?NoOffer DescriptionThe Computational Chemistry Group at Trinity College Dublin (TCD), led by Prof. Graeme Watson, is seeking a highly motivated postdoctoral researcher with expertise in (electro)catalytic processes and periodic density functional theory (DFT).The successful candidate will contribute to the computational modelling and design of materials for green hydrogen production and the valorisation of organic substrates, as part of the EU-funded project PeCATHS ( ). This interdisciplinary consortium includes leading academic and industrial partners: University Jaume I, CIC energiGUNE, ICN2-CERCA, University of Zurich, Comet Global Innovation, and the European Innovation Marketplace.Key Responsibilities

• Collaborate closely with computational and experimental partners across the consortium.
• Contribute to research planning, execution, and dissemination through presentations and publications at internal meetings, project reviews, and international conferences.
• Train and co-supervise postgraduate students within the group.

Research FocusThe postdoctoral researcher will be involved in the following tasks:

• Modelling resting states of photo- and electrocatalysts under experimentally relevant conditions.
• Mechanistic investigations of biomass conversion routes to produce liquid organic hydrogen carriers (LOHCs).
• Computational screening and optimisation of catalyst materials to enhance performance and stability.

This role will involve significant collaboration with CIC energiGUNE, with frequent discussion and joint efforts as part of a distributed computational team.Candidate ProfileEssential Qualifications

• PhD in computational materials science, theoretical chemistry, or a related discipline.
• Strong experience in periodic DFT calculations.
• Excellent written and oral communication skills in English.
• Ability to work both independently and collaboratively in a research team.

Desirable Experience

• Background in modelling (electro)catalytic processes and/or hydrogen storage materials.
• Experience contributing to multi-partner research projects or international collaborations.

Appointment Details

• Start date: 1st September 2025 (or soon as possible thereafter)
• Salary: €44,347 per annum (Point 1 of the IUA Postdoctoral Researcher Scale), with annual increments.
• Contract duration: 18 months, with the possibility of a 12-month extension based on performance and project needs.

Application ProcessInterested candidates should send the following documents to Prof. Graeme Watson at :

• Cover letter outlining their motivation and suitability for the role.
• A full Curriculum Vitae (CV).
• Contact details for two referees.

Informal enquiries are also welcome and can be directed to Prof. Watson at the above email address.Where to apply E-mailwatsong@tcd.ieRequirementsResearch Field Chemistry » Computational chemistry Education Level PhD or equivalentSkills/QualificationsEssential Qualifications

• PhD in computational materials science, theoretical chemistry, or a related discipline.
• Strong experience in periodic DFT calculations.
• Excellent written and oral communication skills in English.
• Ability to work both independently and collaboratively in a research team.

Desirable Experience

• Background in modelling (electro)catalytic processes and/or hydrogen storage materials.
• Experience contributing to multi-partner research projects or international collaborations.

Languages ENGLISH Level GoodResearch Field Chemistry » Computational chemistry Years of Research Experience 4 – 10Additional InformationWebsite for additional job detailsWork Location(s)Number of offers available 1 Company/Institute Trinity College Dublin Country Ireland City Dublin Street Trinity College GeofieldContact CityDublin WebsiteStreetTCD Postal CodeDublin 2 E-Mailwatsong@tcd.ieSTATUS: EXPIREDShare this page

Expected salary

€44347 per year

Location

Dublin

Job date

Fri, 11 Jul 2025 23:46:38 GMT

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