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Meet Materials Design® scientists at the APPLY™-Insights-Meeting Simulation to Develop Materials and Produts.

The exploration and research for materials with specific properties for products that are reliable, save, and efficient and have a high performance make computer simulations indispensable. Increasing compute power and modern simulation techniques even on the atomic scale assist to reduce development times and costs in the manufacturing and processing in nanotechnology. Materials Design® scientists will present and discuss relevant case examples of modeling applications on the atomic scale that provide deep insight into systems, materials, and processes with high resolution.

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We invite, no, encourage you to join us in Philadelphia from October 21st to 23rd for our Annual MedeA Users' Group Meeting.

Join us in Lodz, Poland

Venue: Lodz University of Technology, Faculty of Electrical, Electronic, Computer and Control Engineering

When: 10-11 April 2014

»Registration and exact location

Atomistic Simulations for Designing and Testing Materials for Micro/Nano Electronics Systems

Meet us in session 12 Multi-Physics and Thermal Issues in Microelectronics on Tuesday April 08 2014

We'll illustrate the ease of use and state-of-the-art science behind MedeA® in two application areas:

  • Thermal conductivity of amorphous-crystalline Si superlattices and Si-Ge alloys.

  • Mechanical and thermal properties of epoxy resin based thermosets, including adhesion to alumina and water and oxygen diffusion.

Extending the Reach of First-Principles Methods to Model the Effect of Alloying Elements on Zirconium

In 1929 Paul Dirac, recognizing the difficulties of the deceptively simple equations of quantum mechanics, wrote '...It therefore becomes desirable that approximate practical methods of applying quantum mechanics should be developed, which can lead to an explanation of the main features of complex atomic systems without too much computation.' P.A.M. Dirac, Proc. R. Soc. Lond. A6, 714-733, (1929)

Nanostructuring a surface is a key and mandatory engineering step toward advances in nanotechnology. A team of French and Italian scientists and of a Franco-American company (Materials Design) has just shown that hydrogen/deuterium (H/D) induces the opening of nanotunnels below the surface of an advanced semiconductor, silicon carbide (SiC) such as resistance of high temperature, high thermal conductivity, biocompatibility, and radiation resistance.

Marianna Yiannourakou, Philippe Ungerer, Benoît Leblanc, Xavier Rozanska, Paul Saxe, S Vidal-Gilbert, F Gouth, F Montel. (2013). Molecular Simulation of Adsorption in Microporous Materials. Oil & Gas Science and Technology – Revue d’IFP Energies Nouvelles, 68(6), 977–994.

This recent paper[^1] illustrates the unique capabilities of molecular simulations to treat realistic systems, either with zeolites, carbon nanotubes or naturally occurring materials like coal or kerogen.

Materials Design, Inc. announces the release of MedeA® 2.14, the leading environment for atomistic materials simulation for the Windows and Linux environments.

MedeA 2.14 provides a broad range of enhancements. MedeA®-VASP now offers prediction of NMR chemical shifts, MedeA-Phonon provides spectral IR and Raman simulation, and P3C (Polymer Property Prediction using Correlations) allows for the rapid estimation of polymer properties.

The MedeA® Users Group Meeting was held at the Park Hotel Schönbrunn in Vienna this year. The meeting was well attended and was a great scientific and technical success.

Join Paul Saxe, Clive Freeman and Dave Rigby, as well as over a hundred LAMMPS users, at the 2013 LAMMPS Users Workshop. The workshop takes place in Albuquerque, New Mexico, from August 6-8, 2013.

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