Research Associate in Machine Learning for X-ray Spectroscopy

Salary:£33,966 per annum, pro rata

Newcastle University is a great place to work, with excellent benefits. We have a generous holiday package; plus the opportunity to buy more, great pension schemes and a number of health and wellbeing initiatives to support you.

Closing Date: 06 May 2024

The Role

Does your expertise lie in data science techniques and/or theoretical spectroscopy? Do you have a passion to develop your knowledge to transform the analysis of X-ray spectroscopy using Deep Neural Networks? If so, we would love to hear from you. 

We are seeking to recruit a part time research associate to advance the development of deep neural networks for real-time spectroscopic analysis. Based in Chemistry at Newcastle University, as a Research Associate you will develop and use supervised machine learning/deep learning algorithms to transform the analysis of X-ray spectroscopy by developing and using easy-to-use, computationally inexpensive, and accessible tools for the fast and automated analysis of X-ray spectroscopy. This builds upon recent proof-of-concept work we have performed, e.g. https://aip.scitation.org/doi/abs/10.1063/5.0087255 and https://pubs.rsc.org/en/content/articlehtml/2021/cp/d0cp06244h

You will have an undergraduate degree in a relevant science subject, preferably chemistry, physics or computer science; a PhD in computer science, theoretical or computational chemistry or a related discipline (candidates who have submitted their thesis will be considered).  You will also have expertise in calculating spectroscopic observables or implementing deep learning algorithms as well as experience with a computer programming language, preferably Python.

This is a part time position.

The duration of the appointment will be initially 12 months. The start date is flexible but ideally will be before September 2024. 

To apply, please complete the online application, and provide evidence of how you meet the essential criteria required for the role outlined in ‘The Person’ by uploading a letter of application along with your Curriculum Vitae (CV).

Informal approaches can be made to Prof. Thomas Penfold at [email protected]

Information about the group can be found at: http://www.penfoldgroup.co.uk

For further details about Newcastle University please visit our information page at: http://www.ncl.ac.uk/about

For more information about the School of Natural and Environmental Sciences please click here.

Key Accountabilities

•    Research on project: Theory of Time-resolved Vibrational Spectroscopy for Molecular Design beyond the Born-Oppenheimer Approximation

•    Developing XANESNET Deep Neural Network for predicting X-ray spectroscopy observables

•    Setup and develop accurate training and testing data

•    Analysis of results

•    Interaction with experimental collaborators

•    Writing of scientific papers

•    Contribution to grant writing

•    Oral presentation at meetings

•    Regular liaison with the Principal Investigators to organise workload and the provision of support for the satisfactory operation of research activities

•    Assistance to, and training of, students on specific theoretical techniques and computational methodologies

•    In conjunction with the Principal Investigator, contribute to the planning of project requirements

The Person

Knowledge, Skills and Experience 
•    Expertise in calculating spectroscopic observables or implementing deep learning algorithms
•    Experience with a computer programming language, preferably Python
•    Practical skills in computational chemistry
•    Record keeping and data analysis
•    Excellent oral communication and writing skills
•    Team-working skills
•    Capacity for original thought
•    Enthusiasm and work ethic
•    High level organisational skills
Desirable
•    Publication of work peer-reviewed journals with evidence of a developing research track record
•    Supervision of students (PhD, MSc, BSc)
•    Expertise in code development

Qualifications
•    Bachelor’s degree (or equivalent) in a relevant science subject – preferably chemistry, physics or computer science.
•    A PhD in the area of computer science, theoretical or computational chemistry or a related discipline (candidates who have submitted their thesis will be considered)

Newcastle University is a global University where everyone is treated with dignity and respect.  As a University of Sanctuary, we aim to provide a welcoming place of safety for all, offering opportunities to people fleeing violence and persecution.

We are committed to being a fully inclusive university which actively recruits, supports and retains colleagues from all sectors of society.  We value diversity as well as celebrate, support and thrive on the contributions of all of our employees and the communities they represent.  We are proud to be an equal opportunities employer and encourage applications from individuals who can complement our existing teams, we believe that success is built on having teams whose backgrounds and experiences reflect the diversity of our university and student population.

At Newcastle University we hold a silver Athena Swan award in recognition of our good employment practices for the advancement of gender equality.  We also hold a Race Equality Charter Bronze award in recognition of our work towards tackling race inequality in higher education REC.  We are a Disability Confident employer and will offer an interview to disabled applicants who meet the essential criteria for the role as part of the offer and interview scheme.

In addition, we are a member of the Euraxess initiative supporting researchers in Europe. 

Requisition ID: 26922