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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.

5Jul 2018

A Tribute to Manuel Yáñez and Otilia Mó

The journal of Physical Chemistry A has published a Special Issue Preface that includes a Tribute to Manuel Yáñez and Otilia Mó. https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b03669 Manuel Yáñez, Full Professor in Physical Chemistry at Autonomous University of Madrid, [...]

26Oct 2017

Workshop about TranSIESTA and TBTrans

Interesting workshop about TranSIESTA and TBTrans for the recently launched SIESTA 4.0.1. This version should be the default choice for production for most users. You can read the Release Notes, fixed bugs and obtain [...]