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News & Views

This Week's Webinar: Predicting Elastic Properties Using Ab Initio And Forcefield Based Simulations

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

 

 

Upcoming Webinar: Atomistic-Scale Simulations of Real, Messy, Nasty and Complex Reactive Materials – The ReaxFF Reactive Force Field and Its Applications

Presented by Professor Adri van Duin from Pennsylvania State University

Dr. Ray Shan from Materials Design

Join us on: 

  • Live session - Tue, May 15th: 10 am PDT / 11 am MST / 12 pm CDT /1 pm EST USA / 7 pm Europe (CEST)
  • Recorded webinar with live Q&A session - Wed, May 16th: 7 am Pacific / 4 pm Europe (CEST)

 

 

 

Webinar: Advancing the Design of Materials for Batteries Through Atomic-Scale Modeling

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

Webinar: An Introduction to the MedeA® User Interface

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.

Webinar: Harness the Power of LAMMPS Molecular Dynamics Code with MedeA®

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

New Software Release: MedeA® 2.22 Unlock the Code

 

 

 

 

 

 

 

 

 

 

 

 

Materials Design, Inc. announces the release of MedeA® version 2.22.

The release of MedeA® 2.22 includes:

Webinar: Unlock the Code - MedeA® 2.22 Software Release Highlights

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.

  

The Materials Design 2017 Annual User Group Meeting

 

The 2017 UGM Dinner- in Strasbourg's Maison Kammerzell restaurant (built in 1427)

 

The Materials Design® 2017 Annual User Group Meeting was held on September 19-21 in the heart of Strasbourg. The meeting included a hands-on training session, a focused scientific symposium, and many opportunities for technical discussion and debate.

Webinar: Classical Forcefields for Modeling Materials on Atomic Scale

Classical forcefield-based simulations complement electronic structure methods. Accurately parameterized forcefield-based classical methods extend the scope and range of electronic structure methods to substantially larger length and time scales. While forcefield-based simulations can provide unique insights and property data, classical forcefields have been difficult to use and to develop.

Join us for the 2017 MedeA® User's Group Meeting in Strasbourg, France!

 

The 2017 Materials Design® User Group Meeting will be held in Strasbourg, France, from the 19th to the 21st of September. The meeting will include a hands-on training session for attendees, a technical program dedicated to recent developments in computational materials science, and interactive sessions with MedeA® users and Materials Design® personnel.  The six scientific and technical sessions will include the following speakers*:
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