About us
Who we are
SIMUNE is a software manufacturing company producing scientific software solutions based on quantum mechanical and atomistic approaches.
SIMUNE was launched in 2014 as a joint venture of a group of world-known scientific experts and the Nanoscience Cooperative Research Center CIC nanoGUNE (www.nanogune.eu).
What we do
SIMUNE produces unique software solutions implementing the latest scientific achievements and code it for simplified use in industrial applications.
Since 2016 SIMUNE has been offering solutions to semiconductor, automotive, chemical, green energy industries.
SIMUNE has a close collaboration with the academic community adopting the latest scientific achievements for commercial software products.
SIMUNE secures the longevity of open-source codes conceived in academic environment and provides professional support to industry.
Distributors
ASAP distributors over the world.
Our Partners
Over time SIMUNE has established partnerships with many industrial and academic institutions.
Research & Training
SIMUNE is involved in a number of National and EU-funded projects.
Publications
- F. Marchesin, P. Koval,Y. Pouillon, I. Lebedeva, A. García, M. García-Mota, A. Kimmel “Atomistic Simulation Advanced Platform (ASAP) for materials modelling with ab initio methods”, Psi-k conference 2022, Lausanne (Switzerland), abstract book.
- J.-X. You, P. Koval, M. García-Mota, A. Kimmel, Z.Zanolli, P. Ordejon “Enhancing topological properties in TMDs by adsorbed
magnetic species”, Psi-k conference 2022, Lausanne (Switzerland), abstract book. - Micael J. T. Oliveira et al. “The CECAM electronic structure library and the modular software development paradigm”, The Journal of Chemical Physics 153, 024117 (2020) https://doi.org/10.1063/5.0012901.
- Alberto García et al. “Siesta: Recent developments and applications”, The Journal of Chemical Physics 152, 204108 (2020) https://doi.org/10.1063/5.0005077.
- Peter Koval, Mathias Per Ljungberg, Moritz Müller and Daniel Sánchez-Portal “Toward Efficient GW Calculations Using Numerical Atomic Orbitals: Benchmarking and Application to Molecular Dynamics Simulations”, Journal of Chemical Theory and Computation 15, 8 (2019), https://doi.org/10.1021/acs.jctc.9b00436.
- Peter Koval, Marc Barbry and DanielSánchez-Portal “PySCF-NAO: An efficient and flexible implementation of linear response time-dependent density functional theory with numerical atomic orbitals”, Computer Physics Communications 236, 0010-4655 (2019), https://doi.org/10.1016/j.cpc.2018.08.004.
The Team
Collaborators
m.ingawale@simune.eu
Board of Experts
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 the Autonomous University of 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 res