Thermo-Calc Software is proud to announce that we have been awarded funding from the Wallenberg Initiative Materials Science for Sustainability (WISE) to support our groundbreaking research project, Addressing Critical raw materials Challenges in Energy Storage Systems: Computational materials design tools (ACCESS).
Launched in August 2025, this two-year initiative is designed to accelerate innovation in battery technology by creating advanced computational tools that enable faster, more sustainable materials design.
About the ACCESS Project
The ACCESS project addresses one of today’s most pressing challenges in energy storage: reducing reliance on critical raw materials in Li-ion batteries. Many key materials in batteries, such as lithium, cobalt, nickel, and natural graphite, are scarce, costly, and pose environmental and supply-chain risks. To overcome these challenges, ACCESS aims to identify more sustainable and abundant alternatives, namely sodium to replace lithium, and various transition metals to replace cobalt, while supporting the transition from liquid electrolytes to solid-state battery technologies. The project also focuses on developing a comprehensive understanding of electrode and electrolyte interfaces, as well as the complex phase behaviors that influence battery performance. Lorenzo Fenocchio, Database Developer at Thermo-Calc Software and internal project lead explains:
The challenge is clear: we need batteries that deliver excellent performance while reducing their dependence on critical raw materials and costly, time-consuming development processes.
At the heart of this work is the integration of CALPHAD (CALculation of PHAse Diagrams) with data from Density Functional Theory and experiments, enabling faster and more accurate predictions of materials behavior and reducing reliance on costly, time-consuming experiments. In this light, the key challenges of the ACCESS project consist in identifying the relevant material properties, determining the required thermodynamic data, and using this information to predict phase stability and tailor battery performance. Lorenzo Fenocchio, Database Developer at Thermo-Calc Software and internal project lead continues:
A fundamental understanding of the potential phases that form during battery operation and their stability is crucial; however, current experimental methods still encounter severe limitations in the characterization of the battery components, making predictive modeling a powerful solution.
New Thermodynamic Databases to Support Sustainable Energy Storage
The aim of the ACCESS project is to develop a new thermodynamic, and potentially kinetic, database designed specifically for simulating properties relevant to lithium-ion battery performance, including parameters such as open-circuit voltage (OCV), phase transformation sequences under operating conditions, volume and density changes, and so on. These databases will deepen our understanding of battery materials and support faster, more reliable predictions for both established and emerging chemistries. These tools will not only advance scientific understanding but also enhance Thermo-Calc Software’s offerings to the battery industry. Lorenzo Fenocchio, Database Developer at Thermo-Calc Software and internal project lead explains:
These databases will represent a major step forward for the battery community. By providing high-quality, scientifically rigorous thermodynamic and kinetic data—much of which has never been available for the battery industry — we enable faster, more reliable predictions of material behavior. This level of insight will allow researchers and industry partners to move beyond trial-and-error, accelerating development of new increasingly performing compositions.
The first version of this database is expected to be released in early to mid-2027. If you are interested in influencing the development of the database, please contact us at the form below to discuss your interest. Go to the form.
Global Impact on Environmental Challenges
Batteries play a pivotal role in the global shift toward clean and renewable energy, yet current technologies depend heavily on materials that are scarce, costly, or associated with significant environmental and social challenges. By developing computational tools that accelerate the discovery of more sustainable alternatives, the ACCESS project directly supports efforts to make energy storage cleaner, safer, and more equitable. The outcomes of this research align strongly with several UN Sustainable Development Goals, including Affordable and Clean Energy (SDG 7), Industry, Innovation and Infrastructure (SDG 9), and Climate Action (SDG 13). The project also advances Europe’s broader goals of reducing greenhouse gas emissions and improving access to electric mobility, ultimately contributing to a more resilient and sustainable energy system.
This initiative is not just about improving batteries; it is about shaping a sustainable energy future. By developing alternatives to scarce and expensive materials, we can help make electric vehicles more affordable and accessible, supporting global sustainability goals and Europe’s climate objectives. Lorenzo Fenocchio, Database Developer at Thermo-Calc Software and internal project lead explains:
This project is about more than just improving batteries. It’s about creating tools that enable a sustainable energy future. By reducing reliance on critical raw materials, we can help make clean energy technologies more affordable and widely available.
A Collaboration Between Thermo-Calc Software and KTH
The project is a collaborative effort between Thermo-Calc Software and KTH Royal Institute of Technology, with shared leadership from Prof. Malin Selleby of KTH and our industrial Principal Investigator, Bartek Kaplan, Manager Structure-Based Properties at Thermo-Calc Software. Our internal team, led by Lorenzo Fenocchio and supported by Reza Naraghi, brings deep expertise in CALPHAD database development to the forefront of battery research. The ACCESS team will contribute our extensive expertise in CALPHAD database development, helping integrate multi-scale data to enable more accurate thermodynamic and kinetic predictions.
About the WISE Initiative
WISE is the largest investment in materials science ever made in Sweden, funded by the Knut and Alice Wallenberg Foundation with a total program budget of nearly SEK 3 billion (2022–2033). Its vision is clear: a sustainable future through materials science.
The program unites leading Swedish universities, including KTH, Chalmers, Linköping University, Uppsala University, Lund University, Stockholm University, and Luleå University of Technology, alongside selected research groups at several additional institutions. By connecting academia, industry, and society, WISE accelerates the transition toward sustainable technologies while pushing the scientific frontier forward.
WISE’s mission includes advancing cutting-edge research to enable sustainable technologies, supporting industry collaboration, and training the next generation of leaders in sustainable materials science. Through initiatives like ACCESS, WISE aims to reduce environmental impact, address resource scarcity, and help establish Sweden as a global leader in sustainable materials research.
Are You Interested in Influencing the Development of this Database?
If you are a potential user of such a database and are interested in influencing its development, we would like to hear from you. We would particularly like to know what you would find useful in the database and what you would like to use it for. Please fill out the form below and we will reach out to you to schedule a discussion.
