Research Assistant/Associate in Molecular Modelling (Fixed Term)

University of Cambridge
December 09, 2022
Offerd Salary:£27,929 - £32,348
Working address:N/A
Contract Type:Fixed-term The funds
Working Time:Negotigation
Working type:N/A
Job Ref.:N/A
Research Assistant/Associate in Molecular Modelling (Fixed Term)

A position exists, for a Research Assistant/Associate in the Department of Engineering, to work on Molecular Modelling.

The post holder will be located in Central Cambridge, Cambridgeshire, UK.

The key responsibilities and duties are:

  • Performing molecular simulation of materials using first principles methods and machine learned force fields
  • Developing machine learned interatomic potentials (force fields) based on first principles data using active learning and other uncertainty quantification methods
  • Liaising with project partners, principally other modelling groups to understand their modelling requirements; help them use the new force fields;
  • Draft and publish papers, in collaboration with the PI and others to report results in reputable journals; present such results at conferences and workshops
  • Write and maintain simulation codes including documentation suitable for publication and wide dissemination.
  • The skills, qualifications and experience required to perform the role are:

  • PhD in Chemistry, Physics or Engineering
  • Experience in molecular modelling using first principles quantum mechanical computer simulation

  • Experience with modelling both solids and molecular systems

  • Experience with Linux servers, HPC clusters, Python and Julia programming languages
  • Experience of building machine learning based force fields
  • Experience in using large symmetric linear models for force fields, such as MTP, ACE, and uncertainty quantification
  • Strong communication skills including the ability to work in a team and to liaise closely with industrial partners and academic collaborators
  • Excellent presentation skills and written communication are also essential
  • Several years' research experience in atomistic modelling
  • Applicants must have obtained, or be close to obtaining, a PhD in 2022/23
  • Appointment at Research Associate level is dependent on having a PhD. Those who have submitted but not yet received their PhD will be appointed at Research Assistant level, which will be amended to Research Associate once the PhD has been awarded.

    Salary Ranges: Research Assistant: £27,929 - £32,348; Research Associate: £34,308 - £42,155

    Fixed-term: The funds for this post are available until 31 August 2023 in the first instance.

    Click the 'Apply' button below to register an account with our recruitment system (if you have not already) and apply online.

    Please ensure that you upload your Curriculum Vitae (CV) and a covering letter in the Upload section of the online application. If you upload any additional documents which have not been requested, we will not be able to consider these as part of your application. Please submit your application by midnight on the closing date.

    If you have any questions about this vacancy or the application process, please contact: Claire Whitaker (administrator), email

    Please quote reference NM34353 on your application and in any correspondence about this vacancy.

    The University actively supports equality, diversity and inclusion and encourages applications from all sections of society.

    The University has a responsibility to ensure that all employees are eligible to live and work in the UK.

    Further information
  • HR7 Research Assistant Associate in Molecular Modelling
  • Department/Location

    Department of Engineering, Central Cambridge, Cambridgeshire, UK


    £27,929 - £32,348 or £34,308 - £42,155






    24 November 2022

    Closing date

    9 December 2022

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