Job Description and Person Specification (HR5)
Post Number: /
Job Description
School/Department: / Chemistry
Post Title: / Research Fellow (Senior Research Assistant if no PhD)
Please enter Level under appropriate Career Pathway / ERE / TAE / MSA / CAO / R.Nurse / Clinical
4
ERE Category / Academic Posts / Non-Academic Posts
Academic
(mixed) / Research
only / Teaching
only / Enterprise / Education Development
Posts Responsible to (and Level): / Dr Chris-Kriton Skylaris
Posts Responsible for (and Level):
Job Purpose:To develop linear-scaling electronic structure theory and algorithms of the ONETEP code for linear-scaling methods including Hartree-Fock exchange and hybrid functionals and also range-separated functionals and in particular developing efficient parallel algorithms with these methods that display strong parallel scaling to large core counts.
Key Accountabilities/Primary Responsibilities (6-10 bullet points maximum)
  • To take initiative in the planning of research and carry out research according to the project goals.
  • To draft publications and prepare them for submission to refereed journals.
  • To direct the work of small research teams including undergraduate and postgraduate students.
  • To prepare material for presentation in oral and poster formats.
  • To conduct data analysis, to ensure the validity and reliability of data at all times and to maintain accurate and complete records of all findings.
  • To present findings to colleagues and at conferences.
  • To contribute to writing bids for research grants.
  • To undertake limited teaching duties as required by the School of Chemistry.
  • To write regular (monthly) internal reports and reports for submission to research sponsors.
/ % Time
50
10
10
10
5
5
5
3
2
Internal & External Relationships: (nature & purpose of relationships)
Internal relationships:
  • To provide guidance to staff and students.
  • To undertake instruction of undergraduate project students or PhD students as agreed.
External relationships
  • To participate in and help organise project meetings.
  • To develop contacts and research collaborations within the University and the wider community.

Special Requirements:
  • International travel to conferences or workshopsmay be required.
  • Any other duties commensurate with the grade of the post as directed by the line manager / supervisor.

Person Specification
Criteria / Essential / Desirable / How to be assessed
Qualifications, Knowledge and Experience:
  • PhD or equivalent in computational chemistry or physics
  • Significant programming experience
  • Ability to understand linear-scaling methods for first principles quantum mechanical calculations in detail.
  • Experience of plane-wave pseudopotential codes and localised basis set (e.g Gaussian basis set) codes.
  • Understanding of best practice in software development.
  • Experience with fitting basis set methods in quantum chemistry
  • Experience with Domain Specific Language approaches in quantum chemistry
/ X
x
x
x
x / X
x / CV
CV/Interview
CV/Interview
CV/Interview
Interview
CV/Interview
CV/Interview
Planning and Organising:
  • Ability to conduct a detailed review of recent literature.
  • Ability to develop and apply new concepts.
  • Creative approach to problem-solving.
  • Ability to organise own work with minimal supervision.
  • Ability to prioritise own work in response to deadlines.
/ x
x
x
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x / CV
CV/Interview
CV/Interview
CV/Interview
CV/Interview
Problem Solving and Initiative:
  • High level analytical capability.
  • Ability to apply relevant models, techniques and methods and develop new ones.
  • Ability to assess resource requirements and deploy them effectively.
/ x
x
x / Interview
CV/Interview
CV/Interview
Management and Teamwork:
  • Must possess strong inter-personal skills - ability to deal with a wide range of people.
  • Ability to direct the work of a small research team and motivate others to produce a high standard of work.
/ x
x / Interview
CV/Interview
Communicating and Influencing:
  • Excellent verbal and written communication skills and the ability to write clearly and succinctly for publication.
  • Ability to communicate complex information clearly.
  • Ability to encourage research culture in others.
/ x
x / x / CV
CV/Interview
Interview
Other Skills and Behaviours:
  • Advanced computer programming skills.
/ x / CV
Special Requirements:
  • The appointee will take the lead in the dissemination of results by submitting publications to refereed journals, participating in relevant electronic structure networks and attending conferences and project meetings. He/She will also play an active role in the School and will be expected to interact with external collaborators.
  • The appointee will be required to be present in the office at least during the core working hours of the Skylaris group.
/ x
x / CV/Interview
CV/Interview

Job Hazard Analysis Form - Appendix to Job and Person Specification

Please tick one of the following statements:

This post is an office-based job with routine office hazards e.g. use of VDU (if ticked, no further information needs to be supplied) / x
This post has some hazards other than routine office e.g. more than use of VDU

Please tick all those that apply, and put N/A if not applicable

Environmental Exposures / O* / F / C
Outside work
Extremes of temperature (eg fridge/ furnace)
Potential for exposure to body fluids ##
Noise (greater than 80 dba - 8 hrs twa) ##
Exposure to hazardous substances (eg solvents, liquids, dust, fumes, biohazards). Specify …………………………………………………………. ##
Frequent hand washing
Ionising radiation.
Equipment/Tools/Machines used
Food Handling ##
Driving university vehicles(e.g. car/van/LGV/PCV) ##
Use of latex gloves (note: prohibited unless specific clinical necessity) ##
Vibrating tools ( e.g. strimmers, hammer drill, lawnmowers) ##
Physical Abilities
Load manual handling.
Repetitive Crouching/Kneeling/Stooping
Repetitive Pulling/Pushing
Repetitive Lifting
Standing for prolonged periods
Repetitive Climbing i.e. steps, stools, ladders
Fine motor grips (e.g. pipetting)
Gross motor grips
Repetitive reaching below shoulder height
Repetitive reaching at shoulder height
Repetitive reaching above shoulder height
Psychosocial Issues
Face to face contact with public
Lone working
Shift work/night work/on call duties ##

O – Occasionally (up to 1/3 of time); F – Frequently (up to 2/3 of time); C – Constantly (more than 2/3 of time) ## denotes to HR the need for a full PEHQ to be sent to all applicants for this position.

FOR SCHOOL/SERVICE USE ONLY / ResourceLink Post Number
Which post does this job report to
Is this post a Line Manager? / Yes / No
If yes, which posts directly report into it? / ResourceLink Post Number
Post 1
Post 2
Post 3
Post 4
Post 5
Post 6
Post 7
Post 8
Please add additional rows as required

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