Faster and cheaper transport properties with Compular Lab

There are many properties that describe transport in electrolytes, but they are not all created equal.  Self-diffusvities are simple  When we talk about diffusivity, what we mean is often self-diffusivity. The self-diffusivity describes how a single species diffuses over time, regardless of how the other components of the electrolyte move at the same time. Computing…

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Solving the problem of missing parameters in cell models

Is lack of parameters an issue for your battery models? For most battery developers, simulations are an integral part of the development process. Simulations on the continuum scale require knowledge of the properties of the materials that are being modeled. Sometimes such material properties can be sourced from open databases, but more often than not,…

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We are exploring new development projects

We are currently exploring new development projects to add to the applications already available in Compular Lab. Help shape our development direction! Take a look the project ideas below, and let us know if any align with your interests and goals. We are primarily targeting companies in the battery industry, but if you are in a different field…

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Navigating the jungle of molecular dynamics
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So you are looking to digitalize some aspects of your materials R&D, and you know that molecular dynamics, or MD for short, is one approach. But what are its strengths and weaknesses and which variant should you turn to? In this text I will give you a brief primer.   What is Molecular Dynamics? Molecular…

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Unveil the secret life of your electrolytes
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If you work in battery electrolyte R&D, chances are you have seen results in the lab, or even in computer simulations, that beg for explanations that are not forthcoming from available data. If you could understand the origin of an electrolyte formulation’s high or low rate capability, electrochemical stability, ionic conductivity or electrode wettability, you…

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