High-throughput experimentation and computational freeway lanes for accelerated battery electrolyte and interface development research

Abstract

The timely arrival of novel materials plays a key role in bringing advances to society, as the pace at which major technological breakthroughs take place is usually dictated by the discovery rate at which novel materials are identified within chemical space. High-throughput experimentation and computation strategy, now widely considered as a watershed in accelerating the discovery and optimization of novel materials in virtually every field, enables simultaneous screening, synthesis and characterization of large arrays of different material classes toward identification of the lead candidates for given system and targeted application. However, the ability to acquire data, through the continued advancement of automation platforms and workflows especially in the field of battery research and development, often outpaces the ability to optimally leverage obtained data for improved decision-making. Closing this gap inevitably calls for adapted algorithms, development of reliable predictive models and enhanced integration with machine learning, deep learning, and artificial intelligence. This Review aims to highlight state-of-the-art achievements along with an assessment of current and future challenges as well as resulting perspectives toward accelerated development of advanced battery electrolytes and their interfaces.

Dr.-Ing. Fuzhan Rahmanian

Researcher at TUM

My research focuses on material acceleration and applied electrochemistry through sequential and machine learning algorithms. Different stages of my thesis compromise of hardware interfacing with python and visualization, using robots to perform AI accelerated experiments i.e. through active learning, benchmarking against linear models, and extracting the fundamental knowledge in reduced time over classical high-throughput experimentation for optimization of electrolyte formulations of post-Li ion battery systems.