PhD position: First-principles Many-Body Methods for Complex 2D Heterostructures at CAMD – DTU Physics

The section for Computational Atomic-scale Materials Design (CAMD) at the Technical University of Denmark (DTU), is seeking an outstanding and highly motivated candidate for a PhD position within the area of electronic structure calculations and many-body theory with applications to functionalized 2D materials. The position is funded by the VILLUM Foundation and is part of a newly established Center on Data-Driven Science of 2D Materials.

The successful candidate will develop and apply ab initio computational methods rooted in many-body perturbation theory to explore both excited states, response functions and ground states of various types of materials including twisted 2D heterostructures. In addition, the candidate will learn and apply Python based workflow software to perform high-throughput calculations. Depending on the interests of the candidate, AI models can also be used to enhance the research projects where possible.  

While the overarching theme of the Center is the exploration of specific 2D functionalization strategies, we have a broad and flexible focus when it comes to the employed methodologies (empirical models, DFT, many-body perturbation theory, machine-learning) the target properties (magnetic, topological, electronic, optical, chemical) and the potential technological applications (opto-electronic devices, electro-catalysis, quantum information). These areas will be covered by several interrelated PhD and post doc projects; the content and goal of this specific PhD project will depend on the interests and qualifications of the candidate. 

CAMD offers an international and scientifically stimulating working environment at the Department of Physics, DTU, located in the northern Copenhagen area. The group develops the GPAW electronic structure code, the ASE Python library, and the TaskBlaster workflow framework. Substantial computational resources are available for the project through the DTU-supercomputer facility Niflheim.

Qualifications
The successful candidate will have obtained excellent grades in his/her Bachelor and Master educations. A solid background in quantum mechanics and solid-state physics is required. Moreover, knowledge of programming (in particular Python) is preferred. Furthermore, the candidate should be highly motivated and willing to work in a team. Good communication skills in both spoken and written English, are a requirement. 

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.

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 terms of employment
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 for three years. The position is available from September 2024.

The work must be carried out at DTU.

Approval and Enrolment of PhD Students
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 Professor Kristian S. Thygesen.

Further information 
Should you have any queries regarding the positions, please contact Professors Kristian S. Thygesen (thygesen@fysik.dtu.dk).

You can read more about CAMD at www.fysik.dtu.dk/english/Research/CAMD.

Application procedure 
Please submit your online application no later than 1 August 2024 (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 online", 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 lett