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Postdoc
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Organisation Name: The University of Manchester |
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Organisation Type: Academia |
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City: Manchester |
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State: |
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Country: United Kingdom |
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Job Description:
A postdoctoral position for 2 years, with possible extension of another 2 years, is available through UKRI funding underwriting a European Research Council (ERC) Advanced Grant. This position is open to an outstanding and ambitious computational/theoretical physicist or chemist to undertake research in the field of force field design.
By its novel architecture the in-house force field FFLUX aims to make a step change in the reliability of modelling of peptides/proteins in aqueous solution. We pioneered the use of the machine learning method Gaussian Process Regression (GPR) in the design of atomistic potentials. Here GPR creates knowledgeable quantum atoms that accurately predict energies and multipole moments. FFLUX, which is implemented in in-house software, combines accurate electrostatics and polarisation with an original treatment of short-range interaction and dispersion. The molecular dynamics program DL_FFLUX (derived from DL_POLY) enables geometry optimisation and simulation.
The post is tenable from 1st December 2022.
Full details and how to apply:
https://www.jobs.manchester.ac.uk/displayjob.aspx?jobid=23244
Vacancy: SAE-019800
Based within the Department of Chemistry at the University of Manchester, you will work with Professor Popelier and his team. The Department is ranked 3rd in Great Britain and 5th in Europe by the 2021 Nature Index.
You should have a PhD in computational/theoretical physics or chemistry, with at least 2 out the following 3 areas of expertise: electronic structure theory, molecular simulation or machine learning. Expertise in programming is essential. You should be capable of working under your own initiative and in a research team. Therefore, excellent communication and organisational skills are also required.
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Posting Date: Sep 25, 2022 |
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Closing Date:
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Organisation Website/Careers Page: |
Contact Details:
Name: Paul Popelier
Email ID: pla[AT]manchester.ac.uk |
Note: Please change [AT] to @ in the email address above while sending email to the employer. For example abc[AT]example.com should be changed to abc@example.com .
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