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News & Views

Presented by Dr. Volker Eyert and Dr. Walter Wolf 

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

Join us on: 

  • Tue, June 19th: 10 am PDT / 11 am MST / 12 pm CDT /1 pm EST USA / 7 pm Europe (CEST) 
  • Wed, June 20th: 7 am Pacific / 4 pm Europe (CEST) 
  • Thu, June 21st: 8 am Europe (CET) / 11:30 am India (IST) / 2 pm China (CST) / 3 pm Japan (JST)




We invite you to join the 2018 MedeA User Group Meeting September 18th through 20th in Pittsburgh, Pennsylvania.


p>The 2018 Materials Design® User Group Meeting will be held in Pittsburgh, Pennsylvania, from the 18th to the 20th of September.  The meeting includes hands-on training session, a technical program dedicated to recent developments in computational materials science, and interactive sessions with MedeA® users and Materials Design® personnel. This year’s speakers include:

Materials Design® senior scientist, Volker Eyert, will give an invited talk titled "Atomistische Simulationen als Motor industrieller Innovation" at the Physikzentrum of the German Physical Society (Deutsche Physikalische Gesellschaft, DPG) in Bad Honnef. This talk is part of the "Bad Honnefer Industriegespräche" series organized by the Arbeitskreis Industrie und Wirtschaft of the DPG. 

Here is the abstract:

Benoît Minisini and Alexander Mavromaras will give an invited talk at the 2018 Surfair Congress 'Technologies for Environmental Compliance and Sustainability' held in Biarritz, France May 20-22, 2018. Surfair congress is the world’s leading biennial congress on Surface Finishing in the Aeronautics and Aerospace Industries since 1970. The International Congress is held every other year and brings together an international audience of decision-makers and experts from over 20 countries. 

Our SurFair presentation summarizes recent R&D work by the Materials Design team under the guidance of our polymer materials expert, Dave Rigby. The talk is entitled 'Computational Studies of Adhesion Between Crosslinked Epoxy and Hydroxylated Substrates'.

Here is the abstract:

Presented by Dr. David Rigby and Dr. Walter Wolf

Attend this free webinar to:

  • Learn how to set up, execute, and analyze simulations of elastic and thermodynamic properties for a wide range of materials
  • See how to employ such ab initio and forcefield based simulations in a high-throughput materials screening
  • Gain insight into the underlying concepts, such as symmetry-general stress-strain relationships, polycrystalline and ensemble averaging, descriptors for hardness and ductility, Debye-Grüneisen approach to thermodynamics, thermal expansion and melting, and Hill-Walpole averaging
  • Assess validity and accuracy from a wide range of application examples, including intermetallics, semiconductors, oxides, polymer blends, thermosets and reinforced composites



Presented by Dr. René Windiks 

Attend this free webinar to learn how to:

  • Explore structural databases for candidate materials with high-energy densities and novel properties
  • Calculate and analyze properties, including open circuit voltages and charge carrier capacities
  • Create new materials based on doping strategies using calculated phase diagrams and calculate relevant properties prior to experimentation
  • Predict voltage ranges in which materials are electrochemically stable

Presented by Clive Freeman, Ph.D.

Attend this free webinar to:

  • Learn how to construct, simulate, and analyze a range of systems in MedeA
  • See how MedeA® materials databases can be employed in screening materials properties
  • Interact with scientists who develop the MedeA® environment

A number of illustrations will be included in the webinar, including the calculation of the properties of molecular and inorganic systems, and the screening of structural databases.

Presented by Dr. Ray Shan

In this free webinar, you will:

  • Learn how to master the MedeA®-LAMMPS Flowchart interface and run fast, efficient simulations with the LAMMPS molecular dynamics engine
  • See what’s new in MedeA-LAMMPS in MedeA 2.22
  • Learn how to simulate a wide range of properties, including diffusivity, viscosity, thermal conductivity, and surface tension




Explore the MedeA 2.22 atomistic simulation environment.

This free webinar lets you explore the new release of the atomistic simulation environment MedeA®. Learn about exciting new features, extensions to existing functionality, and enhanced compute performance.


News & Views

Benoit Minisini and Alexander Mavromaras will give an invited talk at the 2018 Surfair Congress in Biarritz, France May 20-22, 2018

Curious about the MedeA GUI? Watch the webinar here

Did you miss the webinar? Watch the recording here.

Click here to see the new capabilities of 2.22