Read about the position and apply here: PhD Candidate in computational material research at the Materials Theory Group (280173) | NTNU – Norwegian University of Science and Technology
Deadline: 15 June 2025
About the position
We have a vacancy for a PhD position in the Materials Theory group at the Department of Physics, Norwegian University of Science and Technology (NTNU) in Trondheim, Norway. We are looking for a skilled and ambitious candidate to join the DYNCAT project, funded by the Research Council of Norway (NFR).
DYNCAT aims to develop highly predictive, physics-based models to study and optimize the Rochow Mülller process, which generates the raw material for silicone production. The project will focus on improving production efficiency and control through the use of particle-based simulation techniques to investigate the catalytic mechanisms and the formation of dichlorodimethylsilane (M2), the key product of the Rochow-Müller reaction.
The successful candidate will work in an international research environment and contribute to the computational modelling efforts at the Materials Theory Group. We are seeking a candidate with a strong theoretical background in condensed/soft matter physics or physical chemistry, a keen interest in programming, and strong motivation to develop new computational models for natural physical processes with real-world industrial applications. The candidate will also collaborate actively with research scientists at SINTEF Industry, who have expertise in experimental and theoretical catalysis, surface science, and adsorption processes. This PhD position is for a period of three years. The goal is to complete a doctoral education leading to the award of a PhD degree. The position will be supervised by Associate Professor Raffaela Cabriolu (Department of Physics, NTNU) as the main supervisor and Dr. Francesca L. Bleken (Senior Scientist, SINTEF Industry) as co-supervisor.
Your immediate leader will be the Head of Department.
Duties of the position
- Develop and test new models and protocols using classical simulation methods such as Molecular Dynamics (MD) and Monte Carlo (MC), as well as quantum approaches like Density Functional Theory (DFT).
- Develop novel Graph Neural Network (GNN) potentials to accurately represent the catalytic behavior of specific species involved in silicone formation.
- Benchmark classical simulation results against DFT simulations and validate all modelling predictions through comparison with available literature data.
- Perform high-performance computing (HPC) simulations to analyze and visualize time-dependent molecular properties.
- Collaborate with an interdisciplinary team of researchers and actively participate in discussions and knowledge exchange within the project.
- Present research findings at international conferences and publish scientific results in peer-reviewed journals.
- Participate in the research group Materials Theory Group.
Be prepared for changes to your work duties after employment.
Required selection criteria
- You must have an academically relevant background within computational physics.
- You must have a Master’s degree in computational physics. Your course of study must correspond to a five-year Norwegian course, where 120 credits have been obtained at master’s level.
- 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 Doctoral Programme in Physics.
- The position requires spoken and written fluency in the English language
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 Regulations for the Universities and Colleges Act (university and colleges regulations) 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
- A documented background in computational physics is required with a focus on atomistic modelling (Molecular Dynamics, Monte Carlo and/or density Functional Theory)
- The applicant must have good programming skills in at least one of the following programming languages: C/C++ and/or Python, Julia is a plus.
- Prior experience in molecular simulations, machine learning techniques, and programming is highly desirable.
- Genuine interest in deep graph neural networks models.
Read more about the position and apply here: PhD Candidate in computational material research at the Materials Theory Group (280173) | NTNU – Norwegian University of Science and Technology
Deadline: 15 June 2025