Atomistic Simulation as a Driver of Industrial Innovation

From communication and information processing, to transport and medicine, to energy conversion and storage, materials provide the critical properties that govern applications and efficiency. Hence, the optimization and development of materials opens extraordinary opportunities. Many factors must be optimized: cost, long-term reliability, safety, sustainability and environmental impact. Atomistic simulation is increasingly employed as a component of the systematic development of optimal materials. Atomistic simulation provides the basis for systematic screening and detailed analysis of materials properties. This webinar describes the role of atomistic simulations in an industrial context and gives an insight into recent developments.

Attend this free webinar to:

• See how atomistic simulation complements analytical methods

• Learn about the added-value of atomistic modeling in an industrial context

• Gain insight into the broad capabilities of the MedeA software environment

• Work with Materials Design in solving industrial problems

Dr. Volker Eyert

Volker received a PhD in theoretical physics from the Technical University of Darmstadt. After postdoc positions at the Max-Planck-Institute for Solid State Research in Stuttgart and the Hahn-Meitner-Institute in Berlin, he held a position as lecturer and assistant professor at Augsburg University, where he also played an essential role in initiating and leading multi-institutional and interdisciplinary advanced research projects in the field of solid state materials. Volker developed an efficient Full-Potential Augmented Spherical Wave (ASW) code, which is based on density functional theory and gives access to the electronic, magnetic, optical, transport, and elastic properties of crystalline materials. 

The MedeA Atomistic Modeling and Simulation Environment
 

MedeA is the leading software environment for atomistic materials modeling, used by thousands of customers at more than 500 institutions worldwide. Scientists and engineers in industry and research institutions rely on MedeA to simulate materials properties and understand diverse phenomena. MedeA enables users to create better products through the accurate simulation of materials properties.

MedeA integrates world-leading structural databases (totaling over 980,000 entries), electronic structure programs (VASP, Gaussian, MOPAC), molecular dynamics (LAMMPS), and Monte Carlo methods (GIBBS) with a host of powerful building, editing, and analysis tools in a unified environment allowing the creation of efficient workflows. Its innovative high-throughput (HT) capabilities enable the exploitation of computational resources.

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