PhD in AI-Driven Molecular Engineering for Solid-State Battery Materials

Publiceringsdatum: 2025-06-13

Positionen som doktorand hos Chalmers Tekniska Högskola AB är öppen och väntar på en lämplig kandidat - kan det vara du? Chalmers Tekniska Högskola AB behöver någon som vill arbeta heltid. Om du är tillgänglig för 6 månader eller längre, ta en titt på denna jobbannons. Arbetsplatsen ligger nära tillhands om du är bosatta i Göteborg som är tjänsteorten.

Chalmers Tekniska Högskola AB har just nu ett ledigt jobb som doktorand. Sista ansökningsdagen till jobbet som doktorand hos Chalmers Tekniska Högskola AB är måndag den tjugoåttonde juli 2025.

Jobbannons

We are offering a full-time PhD position in AI-driven molecular engineering, focusing on the discovery and design of solid polymer electrolytes (SPEs) for next-generation solid-state batteries. The position is based at the Department of Computer Science and Engineering at Chalmers University of Technology in Gothenburg, Sweden.

The student will join the new NEST project Solid Polymer ElectrolytE Discovery (SPEED) - a 5-year collaboration between Chalmers and Uppsala University - funded by the Wallenberg Initiative Materials Science for Sustainability (WISE) and the Wallenberg AI, Autonomous Systems and Software Program (WASP).

About us

The Department of Computer Science and Engineering (CSE), jointly run by Chalmers and the University of Gothenburg, is internationally recognized for research and education excellence. With ~300 staff from 40+ countries, we offer a dynamic, collaborative environment in Gothenburg—one of the world’s most sustainable and livable cities.

The project will be hosted by the AI Laboratory for Molecular Engineering (AIME), led by Assistant Professor Rocío Mercado Oropeza. AIME develops machine learning methods for challenging molecular engineering problems in life sciences and materials design. Part of the Data Science and AI division, our group focuses on generative models, molecular simulations, and design pipelines for data-driven molecular science. We foster a highly collaborative, interdisciplinary, and impactful research environment.

The PhD student will belong to the graduate school within the Wallenberg AI, Autonomous Systems and Software Program (WASP). WASP is Sweden's largest individual research program ever, a major national initiative for strategically motivated basic research, education and faculty recruitment. The program addresses research on artificial intelligence and autonomous systems acting in collaboration with humans, adapting to their environment through sensors, information and knowledge, and forming intelligent systems-of-systems. The vision of WASP is excellent research and competence in artificial intelligence, autonomous systems and software for the benefit of Swedish society and industry.

We seek candidates with the following qualifications:

• To qualify as a PhD student, you must have a master's level degree in computer science, computational chemistry or a relevant field. Equivalent requirements apply to individuals with an education earned outside of Sweden, for example a 4-year bachelor's degree is accepted.
• Strong written and verbal communication skills in English
• Solid knowledge of Python and libraries like PyTorch and RDKit

The following experience will strengthen your application:

• Knowledge in deep generative models, AI/ML, polymers, and/or materials science
• Documented track record of research in the area of the project

What you will do

• Design and implement deep learning (DL) workflows for learning from structured SPE data
• Develop ML models to predict key polymer properties relevant to battery performance
• Create generative models for the inverse design of novel SPE candidates within the targeted chemical space
• Collaborate with other computational researchers to build better models
• Work closely with experimental researchers to guide synthesis and validate computational predictions
• Present findings at scientific meetings and in peer-reviewed ML conferences

The position includes significant opportunities for collaboration within the SPEED NEST environment.

You will also:

• Take courses at an advanced level within the graduate school of Computer Science and Engineering
• Develop your own scientific concepts and communicate the results of your research verbally and in writing
• The position generally also includes teaching on Chalmers' undergraduate level or performing other duties corresponding to 20 percent of working hours

Contract terms and what we offer

• The PhD position is fully funded from start
• As a PhD student at Chalmers, you are an employee and enjoy all employee benefits. Read more about working at Chalmers and our benefits for employees
• The position is limited to four years, with the possibility to teach up to 20%, which extends the position to five years.
• A dynamic and inspiring working environment in the coastal city of Gothenburg
• A starting salary of 34,550 SEK per month (valid from May 25, 2025)

If Swedish is not your native language, Chalmers offers Swedish courses to help you settle in.

Application procedure

To apply, please click here to go to Chalmer's vacancy page.

Application deadline: July 28, 2025

Interviews will be conducted between August 11–22, 2025

For questions, please contact:

Assistant Professor Rocío Mercado Oropeza

Main supervisor

rocio.mercado@chalmers.se

Associate Professor Chao Zhang

Co-supervisor

chao.zhang@kemi.uu.se

We look forward to your application!

• ** Chalmers declines to consider all offers of further announcement publishing or other types of support for the recruiting process in connection with this position. ***