PhD Candidate in Atomistic Simulations of Rare Events

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NTNU is a broad-based university with a technical-scientific profile and a focus in professional education. The university is located in three cities with headquarters in Trondheim.

At NTNU, 9,000 employees and 43,000 students work to create knowledge for a better world.

You will find more information about working at NTNU and the application process here.

   

Video: https://youtu.be/Xt-yHCN5QS0

About the position

Are you motivated to take a step towards a doctorate and open up exciting career opportunities? 

As a PhD Candidate with us, you will work to achieve your doctorate, and at the same time gain valuable experience that qualifies you for a further career in higher education and research, in and outside academia.

Your immediate leader will be the Head of Department.

About the project: Infinity RETIS

The ∞RETIS project will enable virtual experiments of important processes within chemistry, physics, and biology, which are currently impossible due to the large timescales that need to be simulated. We will achieve this by implementing a recently developed groundbreaking algorithm in an advanced computer code that can simulate and analyze the dynamics of complex molecular processes, rather than just the thermodynamics. In order to do this, we will integrate path sampling simulation techniques for the study of rare events with a novel approach that allows us to parallelize “non-parallelizable” algorithms by connecting non-synchronous processing unit tasks in a very efficient way. The most advanced path sampling simulations are currently performed by only a handful of research groups in the world due to the required expertise and routinely long (> 1 year) simulation times. Thanks to the the recently developed ∞RETIS algorithm, these simulations can converge within weeks or days depending on the available High-Performance Computing (HPC) resources. In doing so, we can accomplish what was once considered impossible: efficient parallelized computation of time-dependent properties. This proposal aims to leverage this algorithm to tackle simulation systems that were previously inaccessible. This achievement will have a direct impact on the development of chemistry, biotechnology, and material science.

By implementing the ∞RETIS in a user-friendly open-source computer code, we will establish a unique computational tool to reduce the wall time of present-day path simulations 10-fold or more. In addition to this code development, which will be open access and therefore free to use by any researcher in the world, we will deliver compelling interdisciplinary applications in four key areas: i) redox chemical reactions, ii) biomineralization, iii) protein-ligand binding, and iv) enzymatic catalysis.

On the application side of atomistic simulations, the current position will focus on CO2 storage in metal-organic frameworks with the help of machine learning algorithms.

Duties of the position

• Complete the doctoral education until obtaining a doctorate
• Carry out research of good quality within the framework described above
• Participate in the ∞RETIS software development
• Academic publications and popular science dissemination
• Participate in the research groups of Materials Theory and Theoretical Chemistry 
• Participate in international activities such as conferences and/or research stays at foreign educational institutions

Be prepared for changes to your work duties after employment.

Required selection criteria

• You must have a relevant Master's degree in Physics or Chemistry. Your course of study must correspond to a five-year Norwegian course, where 120 credits have been obtained at master's level. Master students can apply, but the master's degree must be obtained and documented before starting the position and no later than October 31st 2026.
• You must have a strong academic background from your previous studies and have an average grade from your Master's degree study, or equivalent education, which is equal to B or better compared to NTNU's grading scale. If you do not have letter grades from previous studies, you must have an equally good academic foundation. If you have a weaker grade background, you may be considered if you can document that you are particularly suitable for a PhD education.
• You must meet the requirements for admission to the Faculty's Doctoral Programme.
• Prior expertise in atomistic simulation methods.
• Strong programming skills and experience with software development.

PLEASE NOTE: For detailed information about what the application must contain, see paragraph “About the application”.

The appointment is to be made in accordance with NTNUs guidelines for recruitment positions and Regulations for the degrees philosophiae doctor (ph.d.) and philosophiae doctor (ph.d.) in artistic development work at the Norwegian University of Science and Technology (NTNU) for general criteria for the position.

Preferred selection criteria

• Scientific publications in reputable international peer-reviewed journals will be considered a benefit.
• Good oral and written presentation skills in English.
• Solid experience in machine learning and data science.

Personal characteristics

To complete a doctoral degree (PhD), it is important that you can: 

• Work independently and in a structured way
• Present and discuss your research with other professionals
• Get involved and contribute constructively with feedback
• Show curiosity and a strong motivation for the subject
• Analyze data, assess different perspectives and draw well-founded conclusions 
• Be flexible and open to adjusting the plan for the project as needed
• Work as a valuable part of the ∞RETIS team aiming for joint goals 

Emphasis will be placed on personal qualities.

We offer

• An exciting job with an important mission in society
• Developing tasks in a strong and international professional environment
• Career guidance and follow-up during the PhD period
• Open and inclusive working environment with committed colleagues
• Favorable terms as a member of the Norwegian Public Service Pension Fund (SPK)  
• Free Norwegian language training at a basic level (A2)

As a PhD Candidate at NTNU, you will have access to employee benefits.

Diversity

Diversity is a strength, and at NTNU we aim to be an employer that reflects the diversity in society and that makes use of the potential of the population's collective skills. Our vision is Knowledge for a better world and our values ​​are creative, critical, constructive and respectful. We believe that an organization that is equal, diverse, and gender-balanced is essential for us to achieve our goals. 

We strive to attract employees with different skills, life experiences and perspectives to contribute to even better problem solving of our societal mission in research and education. 

If you think this position is relevant and interesting, we encourage you to apply, regardless of gender, functional ability, and cultural background, or whether you have been out of work for a period of time.

Salary and conditions

In the position of PhD Candidate, code 1017, your gross salary will normally be NOK 550 800,- per annum. A 2% statutory contribution to the State Pension Fund is deducted from the salary. 

The employment period is 3 years. 

For employment as a PhD Candidate, it is a prerequisite that you gain admission to the PhD programme in Physics within three months of your employment contract start date, and that you participate in an organized doctoral programme throughout the period of employment.

The position is conditional on external funding by the Research Council of Norway.

As an employee at NTNU, it is important that you keep yourself up to date with academic and organizational changes and adapt to them.

For the necessary professional and social interaction, it is a prerequisite that you are physically present and available to the institution on a daily basis.

The appointment is carried out in accordance with the principles of the State Employees Act, and Export control (legislation that regulates the export of knowledge, technology and services). Candidates who, after assessment of the application and attachments, are considered to be in conflict with the criteria in the latter act, will not be able to be employed.

About the application

The attachments (including a description of your scientific work) must accompany the application as these documents form the basis of the application assessment. The documents must be in Norwegian/a Scandinavian language or English. 

Please note: the application will only be assessed based on the information we have received by the application deadline. Therefore, make sure that your application clearly shows how your skills and experience meet the criteria described above. The application and all attachments must be sent electronically via Jobbnorge.no. If you are invited to an interview, you must bring certified copies of certificates and diplomas upon request.

The application must include: 

• Transcripts and diplomas for Bachelor's and Master's degrees
• Copy of Master's thesis. If you have recently or not yet submitted your Master's thesis, you can attach a draft of the thesis. Documentation of a completed Master's degree must be presented before taking up the position.
• CV 
• Short letter of motivation (400 words/1 page) 
• Possible publications etc. other relevant research work
• Possible certificates
• Names and contact information of at least two relevant referees

If all, or parts, of your education have been taken abroad, we also ask you to attach documentation of the scope and quality of your entire education, both Bachelor's and Master's education, in addition to other higher education. If your institution uses “diploma supplement” (normal for most European institutions), you must attach this. A description of the documentation required can also be found here. If you already have a statement from Norwegian Directorate for Higher Education and Skills (HK-dir), please attach this as well. 

Joint work will be considered. If it is difficult to identify your contribution to joint work, you must attach a brief description of your participation.

When assessing the best qualified, we emphasize necessary qualifications such as education, experience and personal suitability. Motivation for the position, ambitions, and potential for research will also count when assessing the candidates.

NTNU recognizes a wide range of academic contributions and has committed itself to The San Francisco Declaration on Research Assessment and CoARA (responsible assessment of research and recognition of a greater breadth of academic contributions in accordance with NTNU's social mission).

General information

A public list of applicants with name, age, job title and municipality of residence is prepared after the application deadline. If you wish to be exempt from entry on the public applicant list, this must be justified. Assessment will be made in accordance with current legislation. You will be notified if the exemption is not granted.

If you think this position looks interesting and in line with your qualifications, you are welcome to apply.

If you have any questions about the position, please contact Prof. Jaakko Akola (jaakko.akola@ntnu.no). 

If you have any questions about the recruitment process, please contact Anja Isaksen, HR consultant (anja.t.isaksen@ntnu.no).

 

Application deadline: 15.06.2026

 

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For practical information about working at NTNU, please visit this webpage. 
 

The city of Trondheim is a modern European city with a rich cultural scene. Trondheim is the tech capital of Norway with a population of 200,000. The Norwegian welfare state, including healthcare, schools, kindergartens and overall equality, is probably the best of its kind in the world. Professional subsidized day-care for children is easily available. Furthermore, Trondheim offers great opportunities for education (including international schools) and possibilities to enjoy nature, culture and family life and has low crime rates and clean air quality.