Share this Job

Research Software Engineer

Requisition ID:  5307

Newcastle, GB

Contract Type:  Fixed Term
Working Pattern:  Full Time
Posted Date: 


We are a world class research-intensive university. We deliver teaching and learning of the highest quality. We play a leading role in economic, social and cultural development of the North East of England. Attracting and retaining high-calibre people is fundamental to our continued success.


Salary: £30,942.00 - £32,817.00 

Closing Date: 8 November 2020


The Role


We are looking to appoint a Research Software Engineer to support Computational Chemistry activity in the team of Dr Daniel Cole at Newcastle University, as part of a prestigious UKRI Future Leaders Fellowship award.


You will be responsible for delivering technical software engineering expertise in support of atomistic modelling efforts in the group. In particular, you will be responsible for i) developing and maintaining the group's software (QUBEKit) for the derivation of molecular mechanics force field parameters from quantum mechanics, and its interfaces with external codes, and ii) development of machine learning tools to improve the accuracy and speed of molecular modelling.

You will be expected to proactively collaborate with the thriving Research Software Engineer community at Newcastle University, supporting the use of relevant technologies and contributing software engineering skills into the research project.


This position is available for three years and is very well funded, with a generous career support package. It is the second of three new positions in support of this UKRI fellowship.


For informal enquiries please contact Dr Daniel Cole daniel.cole@ncl.ac.uk 

For further information about our research please click here.


For information about research software engineering at Newcastle University please click here.



Key Accountabilities


•    Responsible for supporting the delivery of software projects in computational chemistry, helping to develop and support the research team by assisting through the use of technical skills.
•    Contribute to the selection and use of software and data infrastructure, including technologies for version control, continuous integration, deployment and code review.
•    Collaborate with the research team to develop appropriate technical solutions to research problems.
•    Present work and provide updates, including the effective communication of complex or technical information, at project meetings.
•    Provide training and support for the research team to ensure effective use of relevant technologies.
•    Represent the research group and disseminate information about its work at national and international events.
•    Contribute to learning and development through the provision of documentation, training and advice.
•    Undertake relevant training and development activities in order to develop an awareness of own professional development needs.
•    Maintain and develop knowledge to keep abreast of the latest and most relevant technologies.
•    Any other duties within the scope and general nature of the grade which may be required.



The Person


Knowledge, Skills and Experience 


•    Experience or taught knowledge in Software Engineering and data science.
•    Experience in computational chemistry.
•    Understanding of software development tools and methodologies, including programming languages, documentation, testing, version control, issue tracking, and continuous integration
•    Track record of developing software that is used by others 
•    Ability to manage own work, including planning and execution



•    Knowledge of classical molecular mechanics and force field design
•    Good communication skills including the ability to present complex or technical information and the ability to work with others to understand technical and user requirements



Attributes and Behaviour


Delivering Service: Works continually towards achieving success through understanding and meeting or exceeding the expectations of project collaborators, the University, students, colleagues and   other stakeholders. Is enthusiastic in getting the job done on time and demonstrates high energy and commitment to the delivery of excellent service.


Finding Solutions: Generates a range of viable options and decides on an appropriate course of action that best fits organisational and area goals. Encourages creative and innovative thinking in self and others and makes decisions based on understanding the wider organisational needs and having considered a range of possible options.


Team Working: Confident in adopting a range of team roles. Looks at ways of developing cross functional co-operation and support and looks to build alliances and relationships outside of the group.


Understanding Others: Understands individual or group motives, understands the culture of a particular research group. Is able to quickly and effectively learn the methods and language used within the group.


Planning and Organising: Works in a planned and structured way, uses own and others’ time effectively. Sets own priorities in conjunction with team and area objectives. Quickly identifies what is important and prioritises accordingly whilst monitoring and controlling work flow of teams.






•    Bachelor’s degree (or equivalent) in a relevant science subject, such as chemistry, physics or computer science.



•    A Ph.D. in the field of computational chemistry or physics or a related discipline



Newcastle University is committed to being a fully inclusive Global University which actively recruits, supports and retains staff from all sectors of society.  We value diversity as well as celebrate, support and thrive on the contributions of all our employees and the communities they represent.  We are proud to be an equal opportunities employer and encourage applications from everybody, regardless of race, sex, ethnicity, religion, nationality, sexual orientation, age, disability, gender identity, marital status/civil partnership, pregnancy and maternity, as well as being open to flexible working practices.


Requisition ID: 5307