Consumer demand pushes the industry to make products in shorter cycles. Reduced time-to-market becomes the priority for business that drives the adoption of simulations and materials modelling for production design. Physical prototype testing and manufacturing could take up a significant amount of energy, materials, working hours and calendar time. Meanwhile, simulation enables virtual testing of the products and can effectively save time and money, promote fast innovation, and bring products to market sooner.

In recent years, computer simulations have become a critical tool in investigating and making predictions of material properties, due to the increasing power of new computers and the advances in industrial production techniques that create an overlap between experiment and theory.

SIMUNE provides scientific consultancy services to simulate materials at quantum mechanical and atomistic level, provide a comprehensive analysis of the properties of simulated material, solve specific challenges that their projects might be facing.

The fields of application are numerous including automotive, electronic and chemical industries, energy applications, material design for biological and pharmaceutical applications. Please find out more about it in the SIMUNE Case Studies section.

SIESTA training

    • Training
    • User support
    • Compilation of the SIESTA code and SIESTA Utilities*
    • Library of general pseudopotentials and basis sets
    • Support hours

5 technical support packages: P1, P2, P3, P4, P5.

Package P1 P2 P3 P4 P5
SIESTA Tutorials by SIMUNE
Custom SIESTA binary Compiled SIESTA Utilities, Library of general pseudopotentials and basis sets
Custom made pseudopotentials and Basis sets for a selected system
Support hours 5h 10h

*It includes the features available from its latest developments, for various machine architectures.

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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