项目介绍

2025年6月15日

We are currently offering a PhD student position focused on developing new AI-driven methods for molecular engineering, with an emphasis on the discovery and design of solid polymer electrolytes (SPEs) for next-generation solid-state batteries. The position is a full-time employment at the Department of Computer Science and Engineering at Chalmers University of Technology, and based in Gothenburg, Sweden. The student will form a part of a new NEST initiative funded by the Wallenberg Initiative Materials Science for Sustainability (WISE) and the Wallenberg AI, Autonomous Systems and Software Program (WASP). The NEST project, Solid Polymer ElectrolytE Discovery (SPEED), is a 5-year collaboration between researchers at Chalmers University of Technology and Uppsala University.

About us
The Department of Computer Science and Engineering (CSE) is a joint department between Chalmers and the University of Gothenburg and is internationally recognized for its excellence in research and education. We host around 300 employees from over 40 countries in a stimulating, collaborative environment. Gothenburg, Sweden’s second-largest city, consistently ranks as one of the world’s most sustainable and livable cities.

The project will be based in the AI Laboratory for Molecular Engineering (AIME), led by Assistant Professor Rocío Mercado Oropeza, where researchers develop new machine learning (ML) methods to tackle challenging molecular engineering problems in life sciences and materials design. Situated in the Data Science and AI division, our group advances generative models, molecular simulations, and molecular design pipelines to meet pressing challenges in data-driven molecular sciences. The environment is highly collaborative, bringing together researchers from diverse backgrounds who share a commitment to rigorous, open, and impactful science. The project is part of the WISE and WASP initiatives, which aim to position Sweden at the forefront of materials science and AI research.

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. Read more: https://wasp-sweden.org/

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)

Chalmers is dedicated to improving gender balance and actively works with equality projects, such as the GENIE Initiative for gender equality and excellence. We celebrate diversity and consider equality and inclusion as fundamental aspects of all our activities.

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

Discover more
Find more general information about doctoral studies at Chalmers here. 

Application procedure
The application should be written in English be attached as PDF-files, as below. Maximum size for each file is 40 MB. Please note that the system does not support Zip files.

• CVwith a list of publications and other information, like previous employment or leadership qualification
• Personal letter (max one page) describing your motivation, relevant experiences, and research interests
• Bachelor’s and, if available, master’s thesis together with the transcripts
• Other documents: evidence of written work, attested copies of completed education (including grades) and other certificates

Use the button at the foot of the page to reach the application form. 

Please note: The applicant is responsible for ensuring that the application is complete. Incomplete applications and applications sent by email will not be considered.

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!