Materials Design

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Materials Design

General description of organisation

Materials Design provides modeling software and services that have defined the state of the art in this field. Our customers include the world’s largest automotive, electronic, chemical, and energy companies, governmental laboratories, and academic institutions. Our software environment, MedeA®, offers easy access to leading simulation technologies enabling accurate predictions of materials properties derived from state-of-the-art electronic structure methods, forcefield-based molecular dynamics and Monte Carlo methods. MedeA combines authoritative experimental databases with advanced simulations tools. In addition to these leading software capabilities, Materials Design offers consulting and contract research services, helping new customers to benefit immediately from the power of materials modeling whilst long-term customers push the frontiers of computational materials science in collaborative projects. The company is present around the world with direct sales and support in the Americas, Europe, Middle East, and Africa and by business partners in the Asian markets. To maintain state-of-the-art status in our software products, Materials Design fosters long-term relationships with leading science and technology partners, notably with the developers of the Vienna Ab initio Simulation Package (VASP).

Leading industrial customers and organizations choose Materials Design as project partners for their advanced development efforts in energy-related materials, batteries, and organic functional materials.

The team of Materials Design is convinced of the growing importance of computational materials science and we are committed to providing the best, professionally supported materials modeling tools widely available to scientists and engineers alike.

Information on projects, services, products

Software: MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization, and materials discovery. World-class simulation engines are integrated with elaborate property prediction modules, experimental databases, structure builders and analysis tools, all in one environment for high productivity. The strength of MedeA  lies in combining experimental and computed data with modern informatics methods, a user-friendly interface, graphical workflow building and sophisticated compute job management. MedeA enables the modeling and simulation of metal alloys, semiconductors and insulators, organic solids, polymers, molecular systems and nano-structures. MedeA simulations cover crystalline solids and amorphous solids, fluid phases and fluid mixtures as well as solid/solid and fluid/solid interfaces. An intuitive flowchart interface allows the creation of sophisticated workflows including high-throughput computations that feed machine-learning approaches. The automated generation of tailor-made machine-learned interatomic potentials extends ab initio quality into the realm of large-scale simulations.
Professional Support: The customers of Materials Design are professionally supported by a team of experienced scientists and technical experts, providing technical assistance and scientific guidance.
Contract Research: Materials Design has a proven track-record for the successful on-time and within-budget completion of contract research projects in areas including environmental degradation of advanced structural materials, development and optimization of  battery materials, advanced semiconductor technology, and CO2 capture.

For additional information, please visit our website


Erich Wimmer
Volker Eyert
European Materials Modelling Council
Silversquare Stéphanie
Avenue Louise 54
1050 Brussels
CBE no: 0731 621 312