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View and register for our upcoming webinars. Click the links below. 


From Band Structures to Electronic Materials with MedeA®

Accurate knowledge of the electronic states is at the core of understanding and designing materials. To achieve this goal, MedeA® with its fully integrated leading computational program VASP offers unique capabilities. In this webinar, we will demonstrate the construction of complex systems such as interfaces in semiconductor gate stacks, the calculation of accurate energy band structures, Schottky barriers, and effective work functions. As a comprehensive modeling environment, MedeA® includes as integral components structural databases and phase diagrams as starting point for the construction of atomistic models as well as a variety of tools for analyzing the calculated results. Together with a suite of other atomistic modeling tools, MedeA® addresses the full range from band structures to the multitude of properties of electronic materials.

Don't miss this free webinar!  This webinar series will run live on three dates, so please choose the most convenient timing when you register: 

  • Tue, March 28th: 10 am PST / 11 am MST / 12 pm CST /1 pm EST / 7 pm Central Europe
  • Wed, March 29th: 7 am PST/ 4 pm Central Europe
  • Thu, March 30th: 11 pm PST minus 1 day / 8 am Central Europe / 11:30 am India (IST) / 2 pm China (CST) / 3 pm Japan (JST)



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Computational Polymer Science: Atomistic Modeling Tools and Materials Applications.

Polymers feature in a broad array of modern products and devices, either as individual homopolymers and copolymers, or more commonly in combination with other types of polymer, small molecule (gas, solvent or plasticizer), or inorganic and metallic components. 
This webinar will begin by summarizing the polymer-related atomistic model building, simulation and analysis tools integrated into the MedeA® software environment, which find uses in a variety of industries including aerospace and automotive, electronics, surface coatings and adhesives and personal care. We will then proceed to illustrate applications to a number of industrially important topics, including mechanical properties of bulk glassy engineering polymers, gas and small molecule permeability, gelation in densely cross-linked polymers, surface properties and adhesion, and studies of reinforced aerospace and automotive composite materials. 

Supplemental Materials: 

You can access the replay and receive a copy of the slides by registering here: 


Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity. 

Atomic-scale simulations provide unique insight and property data, which are critical for understanding and solving metallurgical problems. To this end, the MedeA® software environment is built on leading computational approaches including VASP and LAMMPS, which are fully integrated together with comprehensive structural databases and a range of tools for constructing and analyzing atomistic models. An important feature is the ability to perform such calculations in high-throughput mode.

Erich Wimmer demonstrates the power of these capabilities  for
(i) the effect of alloying elements and impurities on the strength of grain boundaries
(ii) the prediction of mechanical properties
(iii) the diffusion of hydrogen in metals
(iv) the nucleation of dislocation loops, and
(v) molecular reactions on metal surfaces.

​You can access the replay and receive a copy of the slides by registering here: https://attendee.gotowebinar.com/recording/8362006212083679746

Supplemental Materials: 

Atomic-Scale Modeling With MedeA®: A Path To Innovation In Batteries 

Atomic-scale modeling empowers researchers and engineers, enabling the efficient computational screening and design of materials, and an understanding of experimental observations at the unprecedented level of detail.
In this webinar with René Windisk, you will learn how the integration of atomistic modeling, using the MedeA® software environment, in conjunction with experimental work, enables the design of low-strain electrodes.  Further discussion showcases applications related to Lithium-metal batteries, in addition to focusing on the phase stability and structural degradation of electrode materials and possible pathways to resolving such issues. Lastly, learn how to computationally screen a vast range of candidate materials.

You can access the replay and receive a copy of the slides by registering here: https://attendee.gotowebinar.com/recording/480992736500217602

Supplementary Materials:

Classical (Forcefield) Methods for Chemistry and Catalysis

Join Xavier Rozanska and Marianna Yiannourakou for a session dedicated to the use of these methods in CHEMISTRY and CATALYSIS. Both experts provide an overview of how integrated approach to modeling helps you study the full catalytic cycle and understand chemical process for solid, fluid and multiphase systems.

You can access the replay by registering here: https://attendee.gotowebinar.com/rt/2744260453988270082 

Supplementary Materials:

Classical (Forcefield) Methods for Modeling Materials on Atomic Scale

Whether you are a forcefields expert looking to accelerate your work, or an accomplished ab initio modeler needing to extend the length and time scales, or a practitioner looking to optimize the experimental work on large and complex systems – you will be able to gain new insights from Materials Design expert speakers, Paul Saxe and Ray Shan.

You can access the replay here: https://attendee.gotowebinar.com/rt/4986979400335340548

MedeA® UNCLE: atomistic studies of crystalline systems at higher scales

Curious to see how the predictive power of Density Functional methods could extend to meso- and micro-scale?  MedeA®-UNCLE lets you study crystal structure, phase stability and ordering of real materials at such length scales. Join David Reith illustrating the method and its applications to metals, ceramics and other solid materials.

You can access the replay by registering here: https://attendee.gotowebinar.com/recording/3078124960752842755