Chalmers and the University of Gothenburg is 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.
Project description
You 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.
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
Workplace description
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.
