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.

9Oct 2018

XChem project

Professor Fernando Martín, professor at the Department of Chemistry of the Autonomous University of Madrid (UAM) directs the XCHEM project (XUV/X-ray lasers for ultrafast electronic control in chemistry) subsidized with the prestigious Advanced Grant of [...]

24Sep 2018

Defense of the first thesis of ITN-EJD:TCCM.

Since 2015, SIMUNE is participating as an Organization Partner in a European ITN, within the Marie Programme Skłodowska-Curie Actions for the development of a European Joint Doctorate on Theoretical Chemistry and Computational Modelling (TCCM) (Innovative [...]