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Postdoctoral Position at University College Dubl ... (No replies)

3 months ago
nuala_mai_caffrey 3 months ago

Applications are invited for a 12 month postdoctoral position in the Computational Materials Research group of Dr. Nuala Caffrey at the School of Physics, University College Dublin (UCD), Ireland (


Project Details: 

Electrochemical intercalation can be a robust and reliable means of tuning and optimizing the electronic structure of a layered catalyst and hence its efficiency. In particular, low cost transition metal dichalcogenides have been identified as possible low-cost catalysts, with MoS2, in particular, shown to have a suitable hydrogen binding energy for the hydrogen evolution reaction (HER). Lithium intercalation between the MoS2 layers was shown to dramatically increase the total number of active sites by inducing a structural phase transition and activating the entire MoS2 basal plane.

The main goal of the project is to develop and use ab-initio modelling techniques to determine how intercalation can be used to optimize the electrocatalytic efficiency of two-dimensional layered materials.

The successful candidate should contribute to the professional development of the group by active participation in group seminars, meetings, collaborations, and other activities. The position requires a PhD in a relevant discipline (Computational Physics, Chemistry or similar). Substantial expertise in Density Functional Theory calculations is essential. Other relevant expertise currently not present in our group is valued. Expertise in computational catalysis, familiarity with high-throughput computational screening and familiarity with simulations of 2D materials is particularly desirable.

Application Procedure: Applications must be made online on the UCD Jobs Vacancy website: Prior to application, further information (including the application procedure) should be obtained from this website. The reference code for this vacancy is 012315. 

Closing date: 17:00hrs (local Irish time) on 31st March 2020

This role is funded by a Science Foundation Ireland Starting Investigator Research Grant, and is available from 1st May 2020.

Informal enquiries are welcome and may be directed to Dr. Nuala Caffrey ([email protected])

Equality, Diversity and Inclusion
UCD is committed to creating an inclusive environment where diversity is celebrated, and everyone is afforded equality of opportunity. To that end the university adheres to a range of equality, diversity and inclusion policies. We encourage applicants to consult those policies here . We welcome applications from everyone, including those who identify with any of the protected characteristics that are set out in our Equality, Diversity and Inclusion policy.

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Ab initio (from electronic structure) calculation of complex processes in materials