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SIMUNE Atomistics S.L. accelerates R&D and product development by solving the complexity of materials modeling. We bridge the gap between advanced atomic scale simulation and industrial application, providing clients with a powerful dual offering of specialized software and expert services.

Our  software portfolio includes the versatile ASAP platform, ideal for general use and teaching, J-OCTA, for multiscale modeling, and Gaussian for high-accuracy molecular properties.

The service component offers custom simulation projects that deliver immediate results and proof-of-concept data, alongside specialized training programs designed to develop in-house modeling capabilities for industrial R&D teams. 

Furthermore, SIMUNE serves as your industrial partner in European training and research proposals, facilitating secondments for students over defined periods. This collaborative approach ensures the transfer of highly specialized and transversal skills, with clear scientific objectives aligned for both your research team and SIMUNE’s strategic goals.

23Jan 2020

Total Energy and Force Methods 2020

SIMUNE sponsored the Total Energy and Force Methods workshop that has been held in San Sebastian - Donostia the January 8-10, 2020. The workshop is organized within the “Total Energy and Force” conference series. [...]

20Mar 2019

Ph.D. Position in Condensed Matter Theory

Topic: Theoretical modeling of topological materials for information devices Primary location: Donostia-San Sebastián (Spain) A 3-year Ph.D. position (with a possible extension up to a fourth year depending on performance) starting March 2019 is available [...]