Postdoc on Machine Learning and Materials Theory for Optoelectronics

Short introduction

• Are you inspired by the quest for new materials for solar cells, spintronics, and quantum technologies—and eager to accelerate their discovery with machine learning and materials theory?
• Are you passionate about linking atomistic processes to device performance through computer simulations?
• Are you fascinated by designing next-generation semiconductors with quantum-mechanical methods enhanced by AI?

Job Description

We are seeking a motivated postdoctoral researcher to develop computational frameworks that integrate quantum-mechanical simulations (DFT, many-body methods) with modern machine learning approaches. Your goal will be to design and understand advanced optoelectronic materials — such as halide perovskites — for applications in sustainable energy, spintronics, and quantum technologies.  By combining physics-based theory with data-driven models, you will contribute to the next generation of predictive tools for materials design and discovery. You will also collaborate closely with experimental and applied researchers, ensuring that theoretical insights directly inform device-level innovations.

The position is embedded in the Intelligent Materials Theory group and will interact with researchers from interdisciplinary institutes, such as, EIRES and EAISI, and uniting physicists, chemists, computer scientists, and AI engineers. You will benefit from strong links to experimental partners, opportunities to mentor students, and the freedom to develop your own scientific ideas within the theme of intelligent materials theory and design.

Job Requirements

• PhD in physics, materials science, chemistry, computational science, or a related field.
• Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML) for materials design.
• Demonstrated experience in connecting physics-informed models with data-driven approaches.
• Background in optoelectronic, spintronic, or quantum materials is a strong plus.
• Proven track record of high-quality research, evidenced by publications.
• Collaborative mindset, with enthusiasm for mentoring students.
• Ability to manage complex projects and deliver results on schedule.
• Excellent English communication skills, both written and spoken.

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 18 months.
• Salary in accordance with the Collective Labour Agreement for Dutch Universities, scale 10 (min. € 4,241 max. € 5,538).
• A year-end bonus of 8.3% and annual vacation pay of 8%.
• High-quality training programs on general skills, didactics and topics related to research and valorization.
• An excellent technical infrastructure, on-campus children's day care and sports facilities.
• Partially paid parental leave and an allowance for commuting, working from home and internet costs. 
• A TU/e Postdoc Association that helps you to build a stronger and broader academic and personal network, and offers tailored support, training and workshops.
• A Staff Immigration Team is available for international candidates, as are a tax compensation scheme (the 30% facility) and a compensation for moving expenses.

Information

About us

The Intelligent Materials Theory group, led by dr. Shuxia Tao in the Department of Applied Physics, develops and applies advanced computational methods that integrate quantum-mechanical simulations with machine learning. Our research focuses on designing next-generation semiconducting materials for applications in energy conversion and storage, spintronics, and quantum information technologies.

Do you recognize yourself in this profile and would you like to know more? Please contact the hiring manager dr. Shuxia Tao, s.x.tao@tue.nl.

Visit our website for more information about the application process or the conditions of employment. You can also contact Stefan van Luijk, HR advisor, s.h.v.luijk@tue.nl.

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 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.
• List of five self-selected ‘best publications’.

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.