PhD scholarship in Atomic-Scale Simulations and Machine Learning – DTU Physics

PhD position in atomic-scale simulation and machine learning with applications to quantum technology. Development of methods for simulating and analysing defects in two-dimensional materials using machine learning and deep learning, in a collaboration between theory and experiment.
The section for Computational Atomic-scale Materials Design (CAMD) at the Department of Physics is seeking an outstanding candidate for a position as PhD student. You will be working with modern atomic-scale modelling and analysis methods based on machine learning. The project aims at applications within quantum technology.

You will be part of a research project in collaboration between DTU Physics and DTU Nanolab on developing machine-learning potentials for atomic-scale simulations of materials, and for advancing our deep learning methods for automated and quantitative analysis of atomic-resolution electron microscopy images.

Responsibilities and qualifications
You will be responsible for developing methods for modelling defect creation in two-dimensional materials by using and developing modern interatomic potentials based on machine learning, supplemented by numerical quantum mechanical methods (Density Functional Theory, DFT). You will also be analysing experimental data with machine learning models and contribute to the development of these machine learning models. You will be part of a group focussing on developing machine learning models to push the boundaries for what is possible to achieve with modern electron microscopy, in particular with respect to real-time data analysis and minimisation of beam effects and beam artefacts. The methods will have general applicability with a focus on optically active defects for quantum communication and quantum computing.

You will be employed in the CAMD group consisting of four faculty members and 15 PhD students and postdocs. You will be collaborating with the experimental scientists in DTU Nanolab, a leading laboratory for electron microscopy.

During your employment as a PhD student, you will acquire expert skills in

• Modern atomic-scale simulation methods, including Density Functional Theory.
• State-of-the-art machine learning algorithms, in particular equivariant neural networks for atomic scale simulations, and convolutional neural networks for image analysis.
• Development of scientific software.
• Applications of these methods to Transmission Electron Microscopy, two-dimensional materials and quantum technology.

If this sounds interesting, you may be our new PhD student!

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree. A solid background in physics, including solid state physics, is a requirement. Knowledge of machine learning and/or density functional theory is advantageous but is not required.

Approval and Enrolment
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education.

Assessment
The assessment of the applicants will be made by prof. Jakob Schiøtz, prof. Thomas W. Hansen and prof Kristian S. Thygesen.

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union.

The period of employment is 3 years. The starting date is 1 May 2025 or as soon as possible thereafter. The position is a full-time position.

You can read more about career paths at DTU here.

Further information
Further information may be obtained from Professor Jakob Schiøtz, tel.: +45 5153 7757, email: [email protected].

You can read more about the department of Physics and the section for Computational Atomic-scale Materials Design (CAMD) at physics.dtu.dk.

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark. Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU.

Application procedure
Your complete online application must be submitted no later than 2 March 2025 (23:59 Danish time). Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it.

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

DTU Physics
At DTU Physics, we carry out cutting-edge research in modern physics, with particular focus on four main areas: quantum technology, sustainable energy, materials, and biophysics. Our focus is both to acquire greater knowledge about basic scientific problems and to conduct research oriented towards use in societies and companies. The focus of the CAMD section is developing and applying modern simulation methods and machine learning methods within the field of solid-state physics and atomic-scale materials physics.

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear mission to develop and create value using science and engineering to benefit society. That mission lives on today. DTU has 13,500 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. DTU has campuses in all parts of Denmark and in Greenland, and we collaborate with the best universities around the world.

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