SIMUNE is a company expert in ATOMISTIC SIMULATIONS offering services for leading industrial, academic and research customers working with materials (semiconductors, energy storage, new compounds, etc.). We train researchers on atomic scale simulation techniques, we cooperate with them in complex simulation challenges and give them professional support in order to accelerate and optimize the materials design process.

SIMUNE was launched as a joint venture of a group of scientific experts and the Nanoscience Cooperative Research Center CIC nanoGUNE ( SIMUNE is based at the nanoGUNE facilities in Donostia - San Sebastián (Spain).

  • MSc Ander de Bustos

    Business Development Manager

  • Dr. Mónica García-Mota

    Simulations Manager

  • Federico Marchesin

    Product Manager

  • Dr. Carlos F. Sanz

    SIESTA Manager

  • Dr. Etienne Plésiat

    E-CAM collaborator of SIMUNE

  • Jesús Oroya

  • Prof. Emilio Artacho

    Head of the Theory group at nanoGUNE and Professor of Theoretical Mineral Physics at the Cavendish Laboratory of the University of Cambridge

    Phd in Physics in 1990 at the Autonomous University of Madrid, Fullbright fellow at the University of California, Berkeley, and Alexander-von-Humboldt fellow at the Max Plank Institute for Solid State Research. In 1993, he became Assistant Professor at the Atonomous University of Madrid, where he was tenured by the end of 1995. In 1999, he was Visiting Professor at the Ecole Normale Superiere of Lyon.

    In 2001, Emilio Artacho was appointed Lecturer at the Earth Sciences Department of the University of Cambridge (Department of Earch Sciences). He became Reader in Condensed Matter Simulations in October 2002, and Professor of Theoretical Mineral Physics in October 2006. In 2007, he was Visiting Miller Professor at the University of California, Berkeley, hosted by the Department of Chemistry. In 2011, his Cambridge professorship was transferred from the Earth Sciences Department to the Cavendished Laboratory and he was also appointed Ikerbasque Research Professor at nanoGUNE.

    Emilio’s research interests include computational and theoretical condensed matter physics, and the computer simulation of solids and liquids from first principles. He is currently focused on three main lines of research: Oxide heterostructures including multiferroics, liquid water and water/solid interfaces, and non-adiabatic processes related to the radiation damage of materials.

  • Prof. Pablo Ordejón

    Director of the Institut Catalá de Nanociència I Nanotecnologia (ICN2) and Head of the Theory and Simulation Group

    PhD in Physics in 1992 at the Autonomous University of Madrid and post-doctoral fellow (1992-1995) at the University of Illinois in Urbana-Champaign (USA). In 1995, he became Assistant Professor at the University of Oviedo. In 1999, he obtained a tenured position at the Institut de Ciència de Materials of Barcelona of the CSIC (Consejo Superior de Investigaciones Científicas), where later became Research Professor. In 2007, he became a founding member of the Centro de Investigación en Nanociencia y Nanotecnología, currently named Institut Català de Nanociencia I Nanotecnologia (ICN2), where he was appointed Director in July 2012.

    Pablo’s research is focused on the development of efficient methods for electronic-structure calculations in large and complex systems, contributing importantly to the technical development of first-principles atomistic simulations. He has been a pioneer in the development and application of first-principles methods for the electronic transport in nanometric devices. His areas of interest, among others, include the electronic transport in nanodevices and electronic processes at surfaces. He frecuently collaborates with industrial laboratories for the atomic-scale simulation of materials.

  • Dr. Juan José Palacios

    Associate Professor of Condensed Matter Physics at the Autonomous University of Madrid (UAM)

    PhD in Physics in 1993 at the Autonomous University of Madrid and post-doctoral fellow at the National Research Council of Canada, Indiana University (USA), and Kentucky University (USA). In 1999, he became Associate Proffessor of Condensed Matter Physics at the University of Alicante. Since 2009, he has been Associate Proffesor of Condensed Matter Physics at the Autonomous University of Madrid.

    Juan José Palacios has a broad experience in Condensed Matter Physics. His current research interests are mostly related to the physics of graphene, topological insulators, molecular electronics, and nanoelectronics. He developed a pioneering research project related to first-principles calculations of quantum transport; in this framework, he developed a number of codes that are distributed free of charge under the denomination ANT (Atomistic NanoTransport).

  • Prof. José María Soler

    Cathedra at Universidad Autónoma de Madrid.

    PdD in Physics at Universidad Autónoma de Madrid (UAM) in 1984. After his post-doctoral studies at IBM Research Laboratories in Zürich and Yorktown Heights, Soler returned to Universidad Autónoma de Madrid where he holds a Cathedra in Condensed Matter Physics.

    His research has been both in the development of methods for electronic structure calculations, such as SIESTA, and the use of all those methods that are used in simulations of various materials, from surfaces to nanowires, polimers and DNA.

    J. M. Soler has published more than 120 scientific articles and has received, in average, more than 100 quotations per article.

  • Prof. Francisco J. Garcia Vidal

    Professor of Condensed Matter Physics at the Autonomous University of Madrid (UAM)

    Garcia-Vidal received his master's degree in Physics (1988) and his Ph.D. degree in Physics (1992) from UAM. From 1994 to 1996 he was a post-doctoral staff researcher at the Imperial College of London, working in the group of Prof. Sir John Pendry, where he began to work in the field of Plasmonics. Since 1997 he has been associated with the Universidad Autonoma de Madrid, first as an associate professor and since December 2007 as a full professor. Since 2013 he is also Director of the Condensed Matter Physics Center (IFIMAC) at UAM.

    Garcia-Vidal and his group has made internationally recognized contributions in different areas within Plasmonics as: Surface Enhanced Raman Scattering, theoretical explanation of the phenomenon of extraordinary transmission of light through subwavelength apertures, non-linear phenomena associated with surface plasmon excitation, control of propagation of surface plasmons in structured surfaces and light waveguiding using surface plasmons. During this time, his group has also developed different numerical and theoretical techniques able to deal with the complex electromagnetic fields emerging in Nanophotonics. Among them we could cite: modal expansion, transfer matrix techniques, finite difference time-domain methods, multiple multipole method and Green’s function techniques. Garcia-Vidal has published more than 200 articles in international journals and has given over 80 invited talks in international conferences. Garcia-Vidal’s articles have received more than 12.800 citations (ISI Web of Knowledge) and his Hirsch factor is 51. He has been recently included in the list of the 140 most influential physicists of the decade 2002-2012 elaborated by Thomson Reuters.

We believe that searching for new materials or improving the properties of existing ones will make a difference for companies of very diverse sectors such as, for example, electronics, energy, automotive, aerospace, and pharmaceutics. The use of computer simulations will bring out in cost and timing savings for our customers during the early stages of the development of new added value products, by shortening the usually long and expensive experimental processes.

We provide ad-hoc materials simulations for industry by expert advice, using the right tool for each application, and also help to include this know-how in your team by training your staff or developing tailored computer software for your particular applications. Our tools are mainly (but not only) based on ab initio techniques that allow us to calculate and simulate the properties of the materials from first principles. These simulations allow the optimization and characterization of the properties of existing materials or the design and development of new ones.



SIMUNE is keen to hear from talented individuals with strong competences in complex simulations of novel materials. If you are interested in becoming part of our team, please send your application to: