Computational electrochemistry

What we can help you with

Simulation can help explain how electrochemical devices behave and how their performance depends on design and operating conditions. Answering new research questions often requires models and capabilities that are not available in existing software. We develop and extend simulation tools to meet these needs, with particular emphasis on lithium-ion battery cells.

We work with industrial partners and research organisations to:

• Develop physics-based models and implement new processes and material descriptions.
• Build coupled models of electrochemical behaviour, transport and heat transfer.
• Improve numerical methods and software efficiency for large simulations.
• Use sensitivities and gradient-based methods for parameter estimation and design optimisation.
• Adapt open-source simulation tools to specific research and engineering tasks.

Contact our Applied Computational Science research group to discuss a modelling challenge, a new simulation capability or improvements to an existing tool.

From new models to working simulators

Our approach to rapid prototyping makes it easier to introduce new models and features, test alternative formulations and investigate interactions between physical processes. Flexible software allows models to evolve as research questions change.

We use automatic differentiation to compute the derivatives needed by numerical solvers and to support sensitivity analysis. Combined with adjoint methods, this provides an efficient basis for calculating how simulation outputs depend on model parameters. These sensitivities can guide parameter estimation and the optimisation of electrochemical systems.

Efficient multiphysics simulation

Electrochemical behaviour depends on interacting processes that may need to be solved together. Our work includes high-fidelity models with more than one million degrees of freedom and fully coupled simulations of electrochemical and thermal behaviour.

Such calculations place substantial demands on numerical methods. We develop efficient solvers and preconditioners for the resulting equation systems and improve software implementation to make detailed simulations more practical. The aim is to achieve the accuracy needed for the application at an acceptable computational cost.

BattMo: open tools for electrochemical modelling

We are core developers of BattMo, an open-source framework for continuum modelling of electrochemical devices, particularly lithium-ion batteries. BattMo provides a platform for developing models, studying coupled processes and incorporating simulation into the design of new cells.

Open source code makes the model equations and numerical implementation available for inspection and extension. It also enables partners to build on shared software rather than start from scratch. The BattMo source code is available on GitHub.

Connecting numerical methods with battery expertise

We combine simulator development with SINTEF's expertise in battery technology. Close collaboration between modelling and experimental researchers helps direct software development towards relevant industrial questions and connects simulation with knowledge of materials, cell design and testing.

This combination supports the development of models that are useful both for understanding electrochemical processes and for investigating practical design choices.

Selected projects

• DigiBatt: Digital Solutions for Accelerated Battery Testing
• BATMAX: Battery management by multi-domain digital twins
• HYDRA: Hybrid power-energy electrodes for next-generation lithium-ion batteries
• HYDROGENi: Norwegian research and innovation centre for hydrogen and ammonia
• IntelLiGent: Innovative and sustainable high-voltage lithium-ion cells
• BIG-MAP: Battery Interface Genome – Materials Acceleration Platform