SIMUNE offers scientific consultancy services for simulating materials at the quantum mechanical and atomistic levels. We address the specific challenges your projects may encounter. Our expertise tackles complex material and methodological challenges across a broad range of applications, providing key insights for projects in automotive, electronics, chemistry, energy, and life sciences. We also offer specialized support for the SIESTA code.

For R&D teams requiring results without investing time or capital in new licenses and training, we execute tailored simulation projects on a contractual basis. We handle the entire computational workflow (from setup to analysis), delivering specific, validated insights directly into your project.

The Benefit: Skip the computational modeling learning curve. Get critical modeling insights instantly, reducing R&D cycles and minimizing trial-and-error costs.

What kind of specific materials challenges can SIMUNE help your R&D team solve?

We help R&D teams solve problems such as:

  • Property Prediction: Determining the electronic and magnetic properties of new or existing materials.
  • Performance Trend Analysis: Predicting the binding or stability trend of a set of molecules on a specific surface (e.g., adsorption and catalysis studies).
  • Interface Stability: Analyzing the stability and characteristics of different interfaces (e.g., battery electrodes or composite materials).
  • Technical Setup & Code Support: Providing support for the SIESTA open-source code itself, including the compilation of the code and its utilities.
  • Custom Tool Development: Generating and validating customized basis sets for SIESTA or other specific model parameters for maximum accuracy.

To see examples of how different computational tools are applied across various fields, please explore the SIMUNE Case Studies section.

How can SIMUNE deliver simulation results without requiring your own R&D investment?

Contact us, and we will evaluate your request to provide tailored solutions for your needs.

Do you have a question?

Contact us. SIMUNE Team will be glad to hear from you.

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Discover SIMUNE Case Studies

Simulation of materials properties nowadays is used for broad variety of tasks to solve materials-related challenges. Learn more about application areas.

Case Studies