Doctoral Researcher in Microscopic Modelling of Nuclear Spin Hyperpolarisation

We are now looking for a

Doctoral Researcher (4 years)

to join us in NMR Research Unit at the Faculty of Science.

About the job

The doctoral researcher position is a part of the Research Council of Finland research project "Spin hyperpolarisation processes by multiscale simulations” led by professor Juha Vaara.

By nuclear spin hyperpolarisation one means techniques by which the signal intensity of nuclear magnetic resonance (NMR) spectroscopy is enhanced by orders of magnitude. This results from molecular-level exchange, collision and dissipation processes that lead a non-thermal equilibrium occupation of the nuclear spin states, which is then employed in materials characterisation and medical diagnostics by NMR. In particular, two hyperpolarisation methods are of current interest to us:

1. Spin-exchange optical pumping (SEOP), where a large degree of spin polarisation is first achieved for the unpaired electrons of alkali-metal atoms by optical pumping with circularly polarised light, and subsequently transferred to noble gas, e.g., ^129/131Xe and ³He nuclei in gas-phase collisions between the two species. We simulate computationally the detailed spin transfer process at different experimental conditions (temperature, pressure, gas composition, choice of alkali metal and noble gas pair), to maximise the nuclear spin polarisation levels of the noble gas. Also of interest are the applications of the polarised substance in gas-phase metrology and fundamental physics.

2. Hyperpolarised chemical exchange saturation transfer, where SEOP-hyperpolarised, bulk ¹²⁹Xe gas is exchanged into a host biosensor molecule, then saturated with a sweeping radio-frequency (rf) irradiation and exchanged back to the bulk solution. This results in polarisation depletion in the bulk, which is measurable in the intense, so-called z-spectrum as a function of the rf frequency. We model the relaxation, spin transfer and exchange effects in different cage systems, including paramagnetic ones. By this we seek microscopic understanding of the factors leading to the specific chemical shift and shape of the z-spectrum, paving way to sensing applications.

In both projects different computational techniques are combined. These include molecular dynamics simulation of the atomic trajectories, electronic structure calculation of the instantaneous spin Hamiltonians extracted from the dynamic trajectory, and spin dynamics simulation of the spin density matrix, from which observables directly comparable to experimental information can be extracted.

Depending on the prior experience and qualifications of the successful applicant, the doctoral researcher will focus on one or both hyperpolarisation methods, in both method development and/or applications. After the employment, the graduated doctor will be in excellent position to apply computational spectroscopy models in a range of cutting-edge fields from modern biomolecular and materials NMR to fundamental physics.

The CPU-intensive computational research to be undertaken in this position is carried out in the facilities of the national supercomputer center (CSC), as well as in the European High-Performance Computing Joint Undertaking (EuroHPC JU) supercomputer LUMI. Local Linux cluster belonging to the Finnish Computing Competence Infrastructure (FCCI) is used for high-throughput production calculations.

What we offer?

• The support of an experienced and enthusiastic team where you can share your expertise and grow as an expert.
• Wellness benefit ePassi covering sport, culture and well-being. Read more about other staff benefits.
• Development and career options of the big organization.
• Work that matters and a workplace that promotes flexibility and work-life balance. Read more about working with us.
• Our Buddy Programme and Spouse Network support you and close-ones in settling into Oulu.
• We have a HR Excellence in Research -quality label which is a recognition awarded by the European Commission for the development of researchers’ working conditions and careers.
• Finland is one of the most livable countries in the world, with a high quality of life, safety, excellent education system, and competitive economy. Read more about living in Oulu.

Who are you?

The doctoral researcher must have completed MSc degree or equivalent in physics, physical or theoretical chemistry, materials science, or a related field. The selected person must have achieved a good grade in their degree (i.e., at least 60% of the maximum grade in both taught courses and the master's thesis) and must be able to demonstrate English language skills that are sufficient to follow doctoral studies. See more detailed requirements of the University of Oulu Graduate School.

We expect you to have experience in quantum mechanics, scientific computing and statistical mechanics. Knowledge of one or several of the following areas is also considered a merit: nuclear magnetic resonance, quantum chemistry, spin dynamics, molecular dynamics and reaction kinetics. Strong computer experience including basic Linux/Unix knowledge, shell scripting, and mastery of at least one relevant programming language (e.g., Python, Fortran, C/C++) is required for success in the project.

We view it as a benefit if you are highly motivated, possess good communication, teamwork and organisational skills, as well as are capable of carrying out independent work. Participation in teaching within the physics curriculum is expected.

Salary

The doctoral researcher position is fixed term for 4 years. The position starts from December 1^st, 2024, or as soon as possible thereafter.

The salary of the doctoral researcher will be based on the levels 2-4 of the demand level chart for teaching and research staff of Finnish universities. In addition, a salary component based on personal work performance will be paid (maximum of 50% of the job specific component). The salary is thus in practice roughly 2 500-2 900 € per month (before taxes), depending on the appointee’s qualifications and experience.

Later the salary follows the YPJ salary system of Finnish universities. The salary will be paid monthly. The employment contract is based on a total working time of 1 612 hours per year, which gives the doctoral researcher freedom to plan the working hours. A six-month trial period will be effective in the beginning of the work contract.

How to apply?

Applications, together with all relevant enclosures, should be submitted using the electronic application form by October 31^st, 2024, 23:59 (Finnish local time). The application should be written in English and include the following:

1) A motivation letter (max. 2 pages) summarising the applicant’s professional experience and expertise, and describing applicant’s research interests and motivations in the project. Also, information on other personal research interests, experience and career plans are valuable to provide here.

2) Brief curriculum vitae (max. 2 pages).

3) Certificates/diplomas - scanned copy of the original relevant master’s degree certificates and transcript of records and, when necessary, official translations to Finnish or English.

4) List of publications in international peer-reviewed journals.

5) A valid certificate of English language proficiency.

6) Contact information of two persons who may be asked to give a statement of the candidate.

The eligible applicants fitting best in the profile expected for the position will be invited to a remote interview. All applicants will be notified during the selection process.

We welcome applicants from all backgrounds, such as people of different ages, different genders and members of different language, cultural or minority groups.

Contact Information

If you have any further questions, please contact professor Juha Vaara, NMR Research Unit, University of Oulu, tel. +358 40 196 6658, email: juha.vaara(at)oulu.fi.