Postdoc Machine Learning for Molecular-level Design of Polymers

Postdoc Machine Learning for Molecular-level Design of Polymers

Published Deadline Location
29 Sep 30 Oct Delft

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Do you have a keen interest in accelerating materials discovery with cutting-edge machine learning, while receiving great mentorship to advance your career? Join our dynamic research team!

Job description

The challenge:

Traditional methods of identifying polymers with specific physical properties have been tedious and inefficient, relying on trial-and-error simulations and experimentation. Although machine learning has accelerated materials discovery, current algorithms demand large amounts of training data. This poses a significant challenge for complex polymers with vast molecular design spaces, necessitating resource-intensive simulations or experiments.

Our vision:

We are tackling this challenge head-on by introducing a new data-efficient framework based on graph neural networks and reinforcement learning to design polymer molecules with targeted physical properties. Our primary focus is on achieving extreme data efficiency while maintaining accuracy in achieving the desired physical properties. By bypassing the slow process of identifying suitable polymer candidates, we pave the way for in-depth computational and experimental exploration of properties like mechanical behavior, manufacturability, recyclability, and much more.

Why join us?

  • Lead a pioneering project at the forefront of machine learning and materials science.
  • Work with international collaborators from diverse disciplines.
  • Access state-of-the-art resources and computational facilities.
  • Supervise PhD and MSc researchers.
  • Receive mentorship and support in developing your academic career.



Delft University of Technology (TU Delft)


  • A Ph.D. in a relevant field (e.g., materials science, chemistry, computer science).
  • Experienced in machine learning for scientific applications.
  • Strong programming skills (Python, PyTorch, TensorFlow, etc.).
  • A passion for cutting-edge research and the drive to solve complex problems.
  • Excellent communication and teamwork abilities.

Conditions of employment

Fixed-term contract: 2 years.

This will be a 2-year Postdoc position (with possibilities of an extension) embedded in the research group of Dr. Sid Kumar ( Salary and benefits are in accordance with the Collective Labour Agreement for Dutch Universities (salary indication: € 4.036 - € 5.090 per month gross). The TU Delft offers a customisable compensation package, discounts on health insurance, and a monthly work costs contribution. Flexible work schedules can be arranged.

For international applicants, TU Delft has the Coming to Delft Service. This service provides information for new international employees to help you prepare the relocation and to settle in the Netherlands. The Coming to Delft Service offers a Dual Career Programme for partners and they organise events to expand your (social) network.


Delft University of Technology

Delft University of Technology is built on strong foundations. As creators of the world-famous Dutch waterworks and pioneers in biotech, TU Delft is a top international university combining science, engineering and design. It delivers world class results in education, research and innovation to address challenges in the areas of energy, climate, mobility, health and digital society. For generations, our engineers have proven to be entrepreneurial problem-solvers, both in business and in a social context.

At TU Delft we embrace diversity as one of our core values and we actively engage to be a university where you feel at home and can flourish. We value different perspectives and qualities. We believe this makes our work more innovative, the TU Delft community more vibrant and the world more just. Together, we imagine, invent and create solutions using technology to have a positive impact on a global scale. That is why we invite you to apply. Your application will receive fair consideration.

Challenge. Change. Impact!


Faculty Mechanical, Maritime and Materials Engineering

From chip to ship. From machine to human being. From idea to solution. Driven by a deep-rooted desire to understand our environment and discover its underlying mechanisms, research and education at the 3mE faculty focusses on fundamental understanding, design, production including application and product improvement, materials, processes and (mechanical) systems.

3mE is a dynamic and innovative faculty with high-tech lab facilities and international reach. It’s a large faculty but also versatile, so we can often make unique connections by combining different disciplines. This is reflected in 3mE’s outstanding, state-of-the-art education, which trains students to become responsible and socially engaged engineers and scientists. We translate our knowledge and insights into solutions to societal issues, contributing to a sustainable society and to the development of prosperity and well-being. That is what unites us in pioneering research, inspiring education and (inter)national cooperation.

Click here to go to the website of the Faculty of Mechanical, Maritime and Materials Engineering. Do you want to experience working at our faculty? These videos will introduce you to some of our researchers and their work.


  • Postdoc
  • Natural sciences
  • 36—40 hours per week
  • Doctorate
  • TUD04457


Delft University of Technology (TU Delft)

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