PhD scholarships in Atomistic Modelling of Magnetically Activated Moiré Sup at Danmarks Tekniske Universitet

Copenhagen, Capital, Denmark -

Full Time

Start Date

Immediate

Expiry Date

16 Aug, 26

Salary

0.0

Posted On

18 May, 26

Experience

0 year(s) or above

Remote Job

Yes

Telecommute

Yes

Sponsor Visa

Skills

Density Functional Theory, Ab Initio Molecular Dynamics, Machine-Learned Force Fields, Kinetic Monte Carlo, Phase-Field Modelling, Electrochemistry, Battery Fabrication, Materials Synthesis, Operando Characterization, Post-Mortem Characterization, Computational Physics, Materials Science, English Communication, Independent Research, Multiscale Modelling

Industry

Research Services

Description

The sections for Autonomous Materials Discovery (AMD) and Electrochemical Materials (ELM) at DTU Energy are looking for outstanding candidates for two PhD scholarships within the field of computational modelling of battery materials and fabrication and electrochemical investigations of new battery materials and complete battery cells. Responsibilities and qualifications For decades, battery research has focused on optimizing materials chemistry to improve performance. Despite these advances, the fundamental processes governing electrochemical interfaces, particularly their degradation and potential for recovery, remain poorly understood, limiting the development of sustainable and durable energy storage systems. In this project, you will help establish a new paradigm for batteries based on self-healing interfaces enabled by earth-abundant potassium–sulfur chemistries. We are opening two PhD positions, one experimental and one computational, to break new ground in understanding and controlling electrochemical interfaces across scales. Computational PhD position: You will develop an AI-enhanced multiscale modelling framework combining density functional theory, ab initio molecular dynamics, and machine-learned force fields to describe ion transport and interfacial evolution. These models will be extended to mesoscopic and continuum scales (kinetic Monte Carlo, phase-field) to capture degradation and self-healing phenomena under realistic operating conditions. The goal is to uncover the mechanisms governing interface stability and to guide the design of next-generation solid-state electrolytes and battery architectures. Experimental PhD position: You will synthesize and characterize novel solid-state electrolytes based on earth-abundant materials and investigate their interfaces with potassium and sulfur electrodes. Using advanced electrochemical testing and operando/post-mortem characterization techniques, you will study interfacial evolution and validate self-healing strategies under controlled conditions. Your work will directly test model predictions and contribute to the realization of a sustainable battery prototype. Together, you will contribute to a tightly integrated modelling-experimental feedback loop, where predictions guide experiments and experimental insights refine models, accelerating materials discovery and enabling new design principles for electrochemical energy storage. The project is embedded in a highly collaborative environment at DTU Energy, with access to state-of-the-art computational and experimental facilities, and includes international collaborations and research stays with leading partners in both modelling and materials synthesis. The AMD and ELM sections constitute a leading group in combining multiscale modelling techniques, materials science, and electrochemical engineering to accelerate the discovery of novel materials for energy applications. You will work in a highly collaborative and interdisciplinary environment, which comprises, among others, experts with backgrounds in physics, chemistry, materials, and computer science. The two sections comprise 13 (four in AMD, nine in ELM) PIs and approximately 50 PhD students and postdocs. Qualifications: * Good communication skills in English, both written and spoken. * Be able to work independently and take responsibility for progress and quality of projects. * Proved expertise in computational/theoretical physics, chemistry, materials science and related areas. * Proved expertise in materials modelling, electrochemistry, or battery fabrication is required. 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. 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 [https://www.dtu.dk/english/Education/PhD/Rules]. Assessment The assessment of the applicants will be made by: Head of Section, Professor Ivano E. Castelli, Head of Section, Professor Johan Hjelm, and Dr. Mohamad Khoshkalam. 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 employment is expected to start 1 January 2027, or according to mutual agreement. You can read more about career paths at DTU here [http://www.dtu.dk/english/about/job-and-career/working-at-dtu/career-paths]. Further information Further information may be obtained from Prof. Ivano E. Castelli at ivca@dtu.dk [ivca@dtu.dk] and Prof. Johan Hjelm at johh@dtu.dk [johh@dtu.dk]. You can read more about the Department of Energy Conversion and Storage and the Sections for Autonomous Materials Discovery and Electrochemical Materials at www.energy.dtu.dk [https://www.energy.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 [https://www.dtu.dk/english/about/job-and-career/moving-to-denmark]. Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar [https://www.dtu.dk/english/about/job-and-career/moving-to-denmark/before-arrival/phd-relocation-to-denmark]” 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 1 August 2026 (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 * List of publications (if any) indicating scientific highlights * List of References (at least two) 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. The Department of Energy Conversion and Storage (DTU Energy) focuses on research and development of functional materials, components, and systems for sustainable energy technologies. The technologies include fuel cells, electrolysis, power-to-x, batteries, and carbon capture. The research is based on strong competences on electrochemistry, atomic scale and multi-physics modelling, autonomous materials discovery, materials processing, and structural analyses. We also focus on educating engineering students at all levels, ranging from BSc, MSc, PhD to lifelong learning students. We have about 300 dedicated employees. Read more about us at www.energy.dtu.dk [http://www.energy.dtu.dk]. DTU – For the benefit of society since 1829 DTU is one of Europe's leading elite technical universities. Through research and education at an international top level, we create solutions to the major societal challenges of our time and help secure Europe's global leadership in sustainable technological development. Since Hans Christian Ørsted founded DTU almost 200 years ago, our mission has remained the same: We develop and create value through the natural and technical sciences for the benefit of society. DTU has 13,800 students, 1,600 PhD students, and 6,500 employees. We work in an international environment and have an inclusive, stimulating, and informal work culture. DTU has campuses in all parts of Denmark and in Greenland and collaborates with the best universities around the world.

Responsibilities

The role involves developing AI-enhanced multiscale models or synthesizing novel solid-state electrolytes to understand and control electrochemical interfaces in potassium-sulfur batteries. The goal is to create a feedback loop between modelling and experiments to enable self-healing interfaces and sustainable energy storage.