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PhD Research Fellow in Computational Chemistry – UiO, Norway – Nov 2021


Position as PhD Research Fellow in Computational Chemistry available at the Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, Norway

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General Info

Position: PhD Research Fellow
No. of Positions: 1
Research Field:
Deadline to Apply: Expired
Joining Date: Mar 01, 2022
Contract Period: 3 Years
Salary: 491 200 – 534 400 NOK/Year

Hylleraas Centre for Quantum Molecular Sciences
Department of Chemistry


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Qualification Details

The Faculty of Mathematics and Natural Sciences has a strategic ambition is to be among Europe’s leading communities for research, education and innovation. Candidates for these fellowships will be selected in accordance with this, and expected to be in the upper segment of their class with respect to academic credentials.

  • Applicants must hold a Master’s degree in Chemistry or related disciplines
  • Foreign completed degree (M.Sc.-level) corresponding to a minimum of four years in the Norwegian educational system
  • Documented training in either theoretical or computational chemistry at the master level is required
  • Good knowledge of organic/organometallic chemistry is required
  • Good knowledge about electronic structure theory and/or (ab initio) molecular dynamics is highly desired
  • Basic experience with molecular modelling using DFT, molecular dynamics simulations and/or periodic systems is highly desired
  • The candidates must have fluent oral and written communication skills in English
  • The candidates must be willing to spend periodic visits to collaborators abroad

Grade requirements:

The norm is as follows:

  • the average grade point for courses included in the Bachelor’s degree must be C or better in the Norwegian educational system
  • the average grade point for courses included in the Master’s degree must be B or better in the Norwegian educational system
  • the Master’s thesis must have the grade B or better in the Norwegian educational system
  • Fluent oral and written communication skills in English
  • English requirements for applicants from outside of EU/ EEA countries and exemptions from the requirements:

The purpose of the fellowship is research training leading to the successful completion of a PhD degree.

The fellowship requires admission to the PhD programme at the Faculty of Mathematics and Natural Sciences. The application to the PhD programme must be submitted to the department no later than two months after taking up the position. For more information see:

Responsibilities/Job Description

This project is dedicated to the computational study of NMR properties in heavy transition-metal complexes under the supervision of Dr. Abril C. Castro from the Hylleraas Centre, University of Oslo. The research is part of the project SpecTraM: Accurate prediction and interpretation of NMR spectra in transition-metal complexes, funded by the Research Council of Norway.

The objective of the project is to provide more sophisticated and reliable models to determine NMR chemical shifts of diamagnetic or paramagnetic heavy-nuclei systems. The use of these models will help to unravel challenging problems for synthesis and catalysis in which a reliable approach with predictive power is required. Considering the wide use of NMR spectroscopy, this project will focus on demanding systems with significant potential applications, ranging from the optimization of hydrocarbons in petrochemical feedstock to the drug design in the pharmaceutical sector.

The core of the research will be about combining robust and non-conventional quantum-chemistry methods to explore individual effects that may have a crucial impact on the NMR properties. This project will then involve the use of state-of-the-art two- and four-component relativistic approaches combined with ab initio molecular dynamics simulations to predict and reproduce accurate NMR spectra. These models will contribute to the understanding of both direct and indirect effects that influence the chemical shifts, leading to a significant step towards the relationship between molecular structure and NMR parameters.

How to Apply?

Online Application through "Apply Now" Button from this page

Reference Number: -
(If any, use it in the necessary place)

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Documents Required

  • Cover letter - statement of motivation and research interests
  • CV (summarizing education, positions and academic work - scientific publications)
  • Copies of the original Bachelor and Master’s degree diploma, transcripts of records and
  • Letters of recommendation
  • Documentation of English proficiency
  • List of publications and academic work that the applicant wishes to be considered by the evaluation committee
  • Names and contact details of 2-3 references (name, relation to candidate, e-mail and telephone number)

The application with attachments must be delivered in our electronic recruiting system, please follow the link “apply for this job”. Foreign applicants are advised to attach an explanation of their University's grading system. Please note that all documents should be in English (or a Scandinavian language).

When evaluating the application, emphasis will be given to the eventuelt “project description” and the applicant’s academic and personal prerequisites to carry out the project. Applicants may be called in for an interview.

About the Project

The project will be performed under the supervision of Dr. Abril C. Castro. The PhD will benefit from high-profile interdisciplinary collaborations and research stays abroad. The PhD will take part in all research and professional development activities of the National Centre of Excellence – Hylleraas Centre for Quantum Molecular Sciences. The Hylleraas Centre is shared between the University of Oslo and the UiT – The Arctic University of Norway in Tromsø, and it is devoted to the development and applications of molecular simulations methods for systems of chemical relevance, with strong focus on complex systems.

About the Department

Hylleraas Centre for Quantum Molecular Sciences operates under the aegis of the Department of Chemistry at the Faculty of Mathematics and Natural Sciences. The Department of Chemistry  is Norway's largest institution within research and education in chemistry. Our research excels internationally and we educate students to a wide variety of jobs in industry, academia, research institutions, schools and public administration. Our research ranges from the core topics of chemistry to applied science within in environmental, health, energy and materials.

The Department has extensive contacts with industry, research and educational institutions at home and abroad. As partner in the Centre for Materials Science and Nanotechnology our researchers contributes to a significant interdisciplinary efforts in cooperation with the Department of Physics. The Department of Chemistry has its own school laboratory as a great resource for teachers, public outreach and the didactics of chemistry.

About the Employer: University of Oslo, UiO

Note or Other details

Please see the guidelines and regulations for appointments to Research Fellowships at the University of Oslo.

We offer

  • salary NOK 491 200 – 534 400 per annum depending on qualifications in a position as PhD Research fellow, (position code 1017)
  • Attractive welfare benefits and a generous pension agreement
  • Vibrant international academic environment
  • Career development programmes
  • Oslo’s family-friendly surroundings with their rich opportunities for culture and outdoor activities

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Contact details

For further information please contact: Researcher Abril C. Castro, e-mail:

For questions regarding the recruitment system please contact HR Advisor Olga Holmlund, e-mail:

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