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Research Associate in Theoretical Chemistry

Heriot-Watt University - School of Engineering and Physical Sciences

Location: Edinburgh
Salary: £32,817 to £40,322
Hours: Full Time
Contract Type: Fixed-Term/Contract
Placed On: 23rd November 2021
Closes: 10th December 2021
Job Ref: 1035

The researcher will join a collaborative team working on jointly developing electronic structure and quantum molecular dynamics methods with applications in ultrafast photochemistry. The position is based at Heriot-Watt University under the supervision of Prof. Martin Paterson working on novel electronic structure approaches for multi-reference problems. The quantum dynamics team is based at the University of Edinburgh in the group of Dr. Adam Kirrander. The joint research effort is part of a significant funding programme through EPSRC and the Leverhulme Trust funding four PDRAs. Over both sites we expect theteam to include around 6 individual PDRAs, 6 PhD students, and 8 final-year Masters-project students. Very close collaborative work across both sites in Edinburgh is envisaged. There are also on-going collaborations with a range of leading experimental groups working in ultrafast molecular sciences, including close links withdrove. Dave Townsend at Heriot-Watt.

A research position in theoretical chemistry is available. Specifically, the candidate will undertake the development and application of novel multi-reference electronic structure calculations. This will include but are not limited to Monte Carlo configuration interaction (MCCI), density matrix renormalisation group (DMRG),adaptive configuration interaction (ACI) and coupled cluster (ACC) methods. These will be interfaced directly to new and existing quantum dynamics simulation codes. A close interplay with the dynamics development is expected.

Some of the key duties include (see website for full details):

  • Maintain written records of research results and manage data storage. Progress any generated intellectual property.
  • Daily oversight and guidance of the activities of postgraduate and undergraduate project students.
  • Regular communication with other investigators within the teams at Heriot-Watt and University of Edinburgh and external collaborators elsewhere, through online forms of communication and travel to joint meetings.
  • Preparation of scientific papers; presentation of research at conferences.
  • Propose, monitor and develop research objectives for your own or joint research in discussions with supervisors, as required, and coordinate your work to meet deadlines.
  • Continue to update personal knowledge, and build internal and external contacts, to develop skills within your own specialist research area.

Essential criteria include (see website for full details):

  • A PhD in a relevant area of Physical Chemistry or Chemical Physics or related subject (or a thesis submitted by the start date of the post) is required.
  • A record of high-quality publications, and evidence of contribution to the writing of these publications proportionate to opportunity.
  • Experience in developing code for electronic structure and/or quantum dynamics methods.
  • Expertise in modern scientific programming.

This post is funded until 31/12/2023

For application details and further information please go to:

enzj.fa.em3.oraclecloud.com/hcmUI/CandidateExperience/en/sites/CX/job/1035/?utm_medium=jobshare

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