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News & Views

Did you miss the Computational Polymer Science: Atomistic Modeling Tools and Materials Applications webinar? You still have access to the webinar recording.

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 began 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 then proceeded 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.

Couldn't attend the Computational Metallurgy: Grain Boundaries, Diffusion, and Surface Reactivity webinar? We have you covered. Watch the webinar recording below. 

 

Atomic-scale simulations provide unique insight and property data, which are critical for understanding and solving metallurgical problems.

To this end, the MedeA® software environmentis 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

The power of these capabilities will be demonstrated and explained in this webinar 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

MRS Boston 2016

Philippe Ungerer will be attending the Mod Mol Workshop organized by DECHEMA, Frankfurt, March 9-10 , 2017.  Philippe's talk is entitled 'Prediction of Properties in Metastable Conditions.' It would be our pleasure to see you in Frankfurt!

Join us for the Atomic-Scale Modeling With MedeA®: A Path To Innovation In Batteries Webinar. This will be the next session of our new webinar series.

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, 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.

MRS Boston 2016

Volker Eyert was invited to give a talk by Professor Christina Roth, at the Institute of Chemistry and Biochemistry of the Free University Berlin on Novermber 22. Volker's talk is entitled 'Atomistic Simulations of Electronic Materials – A View from Industrial Applications.' It would be our pleasure to see you in Berlin!

A European Network to Coordinate the Integration of Materials Modeling Activities in   Europe and Support Industrial Uptake

Modelling is regarded as one of the key pillars underpinning the development of new materials and products that respond to societal needs and challenges and ensure competitiveness of European industry in the 21st century. In order to integrate and coordinate their activities, a wide range of European stakeholders including manufacturing industry, software owners and academic modellers formed the European Materials Modelling Council (EMMC) in 2014 as a bottom-up activity.

MRS Boston 2016

MRS Boston 2016

After a brave battle against cancer Phil Mages passed away in the early morning of Thursday October 13, 2016.

Phil was a respected colleague and wonderful human being.  He was held in high regard by all of his colleagues at Materials Design, Inc.  Phil was the Sales Manager for Academic Accounts in the US.  He was well-liked by his customers because he was knowledgeable and treated everyone with so much respect.

The 2016 UGM Dinner- at Seattle's Visually Stunning Aquarium on the Waterfront

The 2016 UGM Dinner - at Seattle's Visually Stunning Aquarium on the Waterfront

News & Views

Our scientists are traveling in June to give presentations on many materials and programs...

Click here to watch the recording!

Click here to see the new capabilities of 2.21

Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives

Chief Scientific Officer Dr. Erich Wimmer joins Senior Scientist Dr. Volker Eyert at the EMMC International Workshop in Vienna on ...

Sales Executive, Eastern USA - Materials Design, Inc. is leading the way in developing software to simulate materials at the atomistic-level, and proud to provide top-notch scientific support to our customers who are applying these capabilities.