SIMUNE’s approach has direct application on advanced materials with high technological needs. We are experts identifying the best solution to solve materials-related challenges. Starting from an industrial problem, we identify a workflow for its solution by using materials modelling.

Save cost and time by identifying new materials for new products, understand results of measurements, or characterize material properties  that are not experimentally accessible, are some of the advantages of simulations.

 

SERVICES:

MATERIALS DESIGN

We help materials design teams to analyse specific properties of the materials or to solve specific challenges that might be facing their projects.

PROFESSIONAL SUPPORT FOR SIESTA and TranSIESTA

We can assist you in all necessary steps to obtain a well-converged SIESTA and/or TranSIESTA calculation: compile the code, choose appropriate basis set and pseudopotential, set up the model system and select the specific parameters that define the SIESTA calculation. We also provide your scientific support to analyse and interpret your results.

DEVELOPMENT/INTEGRATION OF CUSTOMIZED MODULES

If your next challenge requires of a complex development or integration of customized modules, or to integrate a specific physical theory into a computational code, we could carry out the required development.