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Generative AI Creeping Into EV Battery Development – How To Guide!

In the arena of electric vehicle (EV) battery advancement, the vast array of accessible molecules is truly remarkable. With roughly ten billion commercially available molecules at our disposal, the potential permutations, especially when focusing on groupings of five—a prevalent choice for generating electrolyte materials in batteries—soar to an astonishing 10 to the 47th power.

To put it succinctly, this is an astronomical figure.

Each of these permutations holds great importance within the domain of batteries. Finding the ideal blend of electrolyte materials is comparable to striking a pot of gold; it can lead to batteries with rapid charging capabilities, increased energy density, and applications not only in electric vehicles but also in grid systems and electric aircraft. Nonetheless, the challenge is analogous to the meticulous process of drug discovery, taking more than a decade and a multitude of unsuccessful attempts to unearth the perfect match.

Here’s where the imaginative minds behind Aionics, a pioneering startup, are confident that their AI tools can bring about a significant transformation.

“The crux of the matter lies in the overwhelming multitude of prospective candidates and the constraints of time,” elucidates Austin Sendek, co-founder, and CEO of Aionics. He underscored this during a recent event at the Up Summit in Dallas, underscoring the pivotal role that AI can play in expediting the battery development journey.

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Electrolytes, Meeting With AI

Aionics, a startup based in Palo Alto, utilizes artificial intelligence to advance the discovery of electrolytes for lithium-ion batteries, with the objective of enhancing battery performance. Securing $3.5 million in funding, Aionics collaborates with corporate partners such as Cellforce, Form Energy, Resonac, and Cuberg. Their approach commences with defining a battery’s performance requirements.

By harnessing AI-accelerated quantum mechanics, they expedite the evaluation of existing molecular databases, processing an impressive 10,000 candidates per second. The AI model continuously learns and hones its predictive abilities, assisting in the selection of the most promising molecule for the next phase. This innovative technology accelerates the battery development journey and shows great potential for more effective energy storage solutions.

Entering Generative AI

Aionics has enhanced its battery development efforts by integrating generative AI. Instead of solely relying on established molecules, they have employed generative AI models, trained on existing battery material data, to design new molecules tailored for specific applications.

The company has also utilized large language models (LLMs) like GPT-4 from OpenAI to streamline the process of selecting the most promising formulations. These LLMs, trained on chemistry resources curated by Aionics, empower scientists to query the model, providing a sophisticated level of interaction. While it doesn’t drive the actual discovery, it assists scientists in excluding unsuitable molecules for a given application.

Aionics emphasizes that this approach aligns with the principles of scientific curation, offering a more advanced interaction level. This fusion of generative AI and LLMs holds the potential to expedite the exploration of battery design principles, marking a noteworthy advancement in the field.

How They Pick Winners

Following a rigorous screening of countless candidates, Aionics meticulously narrows down the selection to a select few or leverages generative AI models to craft promising molecules. Subsequently, the company furnishes customer samples for validation. If the initial round doesn’t yield the desired results, Aionics persists with iterative processes, possibly including clinical trials, to pinpoint the optimal solution. Upon identifying the ideal candidate, Aionics collaborates with manufacturing partners to scale up production and bring it to the market.

This approach has also found unconventional applications, notably in fields like cement production. Chement, a startup co-founded by Viswanathan and in partnership with Aionics, explores inventive methods that harness renewable electricity and raw materials to initiate chemical reactions, ultimately yielding zero-emissions products such as cement.


In the domain of electric vehicle (EV) battery development, Aionics’ groundbreaking amalgamation of AI, generative AI, and extensive language models paves a path of remarkable transformation. Their meticulous molecule selection, validation precision, and strategic manufacturing collaborations underscore the potential for swifter, more effective energy storage solutions. This inventive strategy not only tackles battery advancement but also extends its purview to non-traditional sectors like cement, thereby illuminating the broader spectrum of AI-powered innovation in the pursuit of sustainable technologies.

Aionics stands at the vanguard of a novel era in battery research, where AI assumes a pivotal role in propelling advancements and materializing environmentally friendly, cutting-edge energy solutions.

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