Introduction
Are you fascinated by the quantum dynamics of electrons? Do you want to contribute to the development of a novel theoretical framework for accurately simulating how electrons respond to external perturbations? Come join us!
Job Description
The Computational Quantum and Molecular Dynamics group in the Department of Mathematics and Computer Science at Eindhoven University of Technology (TU/e) invites applications for a PhD position in electronic-structure theory. The project focuses on the development of new theoretical frameworks for describing electronic dynamics in atoms, molecules, and materials, with particular emphasis on time-dependent density-functional theory (TDDFT).
Understanding how electrons evolve in time is central to modern science and technology, from photochemistry and catalysis to quantum materials and nanoscale electronic devices. While TDDFT has become the main computational tool for simulating electronic dynamics, its predictive power remains limited in regimes where electron correlation exhibits strong spatial and temporal nonlocality.
This PhD project aims to address these limitations by developing a novel theoretical framework based on the exact electron factorization. In this approach, the many-electron wavefunction is decomposed into marginal and conditional components, leading to effective equations in which both scalar and vector potentials emerge naturally from the theory. This framework offers a new perspective on time-dependent density-functional theory and its current-density extension, with the potential to enable improved functionals capable of capturing nonlocal correlation effects.
The PhD candidate will work on the formal theoretical development of this framework, including:
- deriving exact equations connecting interacting and non-interacting time-dependent systems,
- analyzing the structure and properties of the emerging scalar and vector potentials,
- establishing exact conditions and mathematical properties relevant to density-functional theory,
- performing numerically exact simulations of model systems to test theoretical predictions.
The project lies at the interface of quantum mechanics, mathematical physics, and electronic-structure theory, and will involve close interaction with researchers in applied mathematics, theoretical chemistry, and condensed-matter physics.
Job Requirements
We are looking for a highly motivated candidate with:
- a master’s degree in applied mathematics, physics, chemistry or a related discipline,
- strong background in quantum mechanics and theoretical physics or chemistry,
- interest in density-functional theory and electronic-structure methods,
- strong analytical and mathematical skills,
- good programming skills (e.g., Python, Julia, C++, or similar) are a plus,
- excellent command of English.
We offer:
- participation in an internationally oriented research environment,
- supervision and training at the intersection of mathematics, chemistry, and physics,
- access to high-performance computing resources,
- opportunities to attend international conferences and collaborate with leading research groups.
Conditions of Employment
A meaningful job in a dynamic and ambitious university, in an interdisciplinary setting and within an international network. You will work on a beautiful, green campus within walking distance of the central train station. In addition, we offer you:
- Full-time employment for four years, with an intermediate assessment after nine months. You will spend a minimum of 10% of your four-year employment on teaching tasks, with a maximum of 15% per year of your employment.
- Salary and benefits (such as a pension scheme, paid pregnancy and maternity leave, partially paid parental leave) in accordance with the Collective Labour Agreement for Dutch Universities, scale P (min. € 3,059 - max. € 3,881 gross per month).
- A year-end bonus of 8.3% and annual vacation pay of 8%.
- High-quality training programs and other support to grow into a self-aware, autonomous scientific researcher. At TU/e we challenge you to take charge of your own learning process.
- An excellent technical infrastructure, on-campus children's day care and sports facilities.
- Unlimited access to the modern on‑campus TU/e Student Sports Center at an exceptionally affordable rate.
- An allowance for commuting, working from home and internet costs.
- A Staff Immigration Team and a tax compensation scheme (the 30% facility) for international candidates.
On our website you can discover even more information about our conditions of employment. Build on your career at TU/e!
About us
We are a leading international university where scientific curiosity meets a hands-on mindset. We work in an open and collaborative way with high-tech industries to tackle complex societal challenges. Our responsible and respectful approach ensures impact — today and in the future. TU/e is home to over 13,000 students and more than 7,000 staff, forming a diverse and vibrant academic community.
Our university is located in Brainport Eindhoven — a world‑leading tech region with more than 7,000 high‑tech companies and strong R&D activity. Known for breakthroughs in AI, photonics, semiconductors and advanced manufacturing, Brainport is a place where technology serves people and society. Learn more about the Brainport region here.
As one of the largest and most dynamic academic communities in the Netherlands, the department Mathematics and Computer Science (M&CS) brings together more than 140 scientific staff, over 250 PhD and EngD candidates, and more than 3000 students. We collaborate closely with leading industrial partners in the Brainport Eindhoven region and with universities across the globe—creating a uniquely fertile environment for both fundamental breakthroughs and applied innovation.
Information
Do you recognize yourself in this profile and would you like to know more? Please contact the hiring manager Sara Giarrusso, [email protected].
Visit our website for more information about the application process. You can also contact HR Services, [email protected].
Curious to hear more about what it’s like as a PhD candidate at TU/e? Please view the video.
Are you inspired and would like to know more about working at TU/e? Please visit our career page.
Application
We invite you to submit a complete application by using the apply button. The application should include a:
- Cover letter in which you describe your motivation and qualifications for the position.
- Curriculum vitae, including a list of your publications and the contact information of three references. Kindly note that we may reach out to references at any stage of the recruitment process. We recommend notifying your references upon submitting your application.
Ensure that you submit all the requested application documents. We give priority to complete applications.
We look forward to receiving your application and will screen it as soon as possible. The vacancy will remain open until the position is filled.
Please note
- You can apply online. We will not process applications sent by email and/or post.
- A pre-employment screening (e.g. knowledge security check) can be part of the selection procedure. For more information on the knowledge security check, please consult the National Knowledge Security Guidelines.
- Please do not contact us for unsolicited services.
Type of employment: Temporary position
Contract type: Full time
Salary: Scale P
Number of positions: 1
Full-time equivalent: 1.0 FTE
City: Eindhoven
County: Noord-Brabant
Country: Netherlands
Reference number: 2026/369
Published: 2026-06-24
Last application date: 2026-07-31
