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News & Views

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 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.

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.


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*:

Golden Gate Polymer Forum

Fluid Properties from Molecular Simulation

Applications in Chemical Engineering and the Oil & Gas Industry

Webinar: High Throughput Simulations in the Materials Design MedeA Environment

Presented by Clive Freeman

Our scientists are on the road in June to give talks on many materials and programs. Dr. Erich Wimmer will be speaking at the eSSENCE-SeRC Multiscale Modelling of Materials and Molecules 2017 Conference taking place June 12-14 in Uppsala, Sweden. His invited talk will be entitled, “Data and materials discovery: Perspectives from a Software Company.” For more details, see
During the same week, Dr. Volker Eyert will be speaking at the NAFEMS World Congress 2017, to take place June 11-14 in Stockholm. The talk is called "The emerging role of atomic-scale simulations for integrated materials engineering," and a paper of the same name, co-authored by V. Eyert, M. Christensen, A. Mavromaras, X. Rozanska, P. Ungerer, M. Yiannourakou, E. Wimmer, and D. Rigby, has been accepted as well.
We also have Dr. Philippe Ungerer and Dr. Alexander Mavromaras attending the Petrophase 2017 coming up. Philippe Ungerer is going to present work done jointly with TOTAL SA entitled “Contribution of molecular simulation to systematic thermophysical property prediction for upstream and downstream applications.” Conference details: Petrophase 2017, Le Havre, France, June 11-15,
Dr. Volker Eyert has also been invited to speak the next week in Uppsala for the European Materials Modelling Council (EMMC-CSA) on June 15-16. This talk, titled "Challenges and benefits of industrial materials modelling - perspectives from a software company" will be part of the "Focussed workshop on Model Quality, Gaps & Accuracy.” See details. We hope to see some of you at these talks, and we look forward to spreading ideas!


VASP in MedeA® - a fast way from models to reliable results- with Dr. Walter Wolf

News & Views

Register here to learn how high throughput calculations in the MedeA Environment can accelerate searches in your design spaces

June 24 - 28, 2018. UCLA campus, Los Angeles, California, USA

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