Chalmers University of Technology, Uppsala University

Machine Learning Accelerated Electrolyte Modelling and Design

  • Energy
  • Design & Modelling
  • Organic materials
WISE-WASP
Open

Research question

The electrolyte is an indispensable and critical component in any electrochemical storage device. Only in the 1990s, the lithiation of graphite succeeded by using ethylene carbonate (EC) as the solvent instead of propylene carbonate (PC), which led to the birth of Li-ion batteries in the modern configuration. What is remarkable is the missing of single methyl group in the electrolyte molecule delays the advance of the Li-ion battery over 40 years. In this joint project between Chalmers and Uppsala, we will develop and utilize generative AI and atomistic machine learning to accelerate the modeling and design of new liquid electrolytes that satisfy performance, safety, and environmental requirements.

Sustainability aspects

SDG7 (Affordable and Clean Energy), SDG11 (Sustainable Cities and Communities), SDG12 (Responsible Consumption and Production)

researcher photo

Uppsala University

Chao Zhang

Assoc. Professor

chao.zhang@kemi.uu.se

researcher photo

Chalmers University of Technology

Rocio Mercado

Assistance Professor

rocio.mercado@chalmers.se

Explore projects under the WISE program

WISE drives the development of future materials science at the international forefront. The research should lead to the development of sustainable and efficient materials to solve some of today's major challenges, primary sustainability. On this page you can read more about our research projects.

Explore projects