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  • Katherine Hollingsworth

Simulating Materials at ACS National Meeting in Denver

Throughout the year Materials Design, Inc. scientists attend scientific meetings. Paul Saxe (the CEO of Materials Design, Inc.), Clive Freeman, and Phil Mages recently attended the 249th ACS National Meeting in Denver. The meeting ran from March 22 to March 27 and provided an opportunity to catch up with existing MedeA users, to learn about the latest developments in computational methods employed in the simulation of chemical systems, and to spread the word about Materials Design, Inc. Paul gave a talk on advances in thermoset and polymer-surface interaction modeling in the Polymer Modeling: Structure, Dynamics and Function session organized by Rebecca Locker and Gregory Rutledge (if you are interested in learning more about polymer modeling and/or Paul's presentation, please drop us a line at

A key theme of the ACS National Meeting this year was the chemistry of natural resources, and simulation has an increasingly important role in the optimization of materials, compositions, and processes to protect all resources. From cellulose, to crude oil, and CO₂ we are seeing MedeA and its atomistic modeling capabilities widely employed in screening materials and computing properties.

For the first time at an ACS meeting, Materials Design, Inc. had a booth in the exhibition hall, showcasing the MedeA Instrument, which provides access to a 128 core compute server with the physical footprint and power requirements of a desk-side workstation. This enabled attendees to see MedeA computations in action and to calculate properties for a wide range of systems ranging from polymers, to metals, semiconductors, inorganic glasses, small molecules and their liquids, gases, and the resulting interfaces between all these systems! (And if you are interested in learning more about MedeA or the MedeA Instrument, please don't hesitate to drop us a line on

The team from Materials Design, Inc. had a great conference, and we hope that you did too if you attended. It was a real pleasure meeting everyone at the scientific talks, and poster sessions, and at the exhibition, and as always the science and technology were stimulating and inspiring. Atomistic and electronic simulation methods have come a long way in the last few years, and developments such as the turn-key MedeA Instrument and the general usability of MedeA are helping to make such methods ever more accessible.

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