News and Events
Recent Webinars
Exploring Battery Materials: Electrodes, Electrolytes, and Interfaces Thereof
This webinar will show how atomic-scale modeling with MedeA® is complementary to experimental spectroscopic techniques such as XPS, IR/Raman, NMR, and impedance measurements.
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Mesoscale Simulations
Learn how to perform mesoscale simulations on materials models too large for atomistic modeling using the new mesoscale functionality in MedeA®.
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VASP 6: Total energies beyond DFT
This webinar illustrates the need for total energy calculations by means of methods beyond density functional theory, specifically using the Random-Phase-Approximation and highlights the work that has been put into VASP 6 to make these calculations tractable.
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Diffusion and You: Batteries, Catalysis, Alloys, Corrosion, and the Stock Market
This webinar will show that deep understanding of diffusion mechanisms and quantitative predictions of temperature-dependent diffusion coefficients are now possible at an unprecedented level of detail and accuracy.
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Elasticity and Beyond: Predicting Mechanical Properties with MedeA®
And get a first look at the new MedeA Deformation module in the upcoming MedeA 3.1 release on the plastic deformation and fracture of materials!
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Use of Polymer Theoretical Concepts in Atomistic Polymer Simulation Software
This presentation provides a summary of how the concepts summarized in Flory’s monograph have been incorporated either directly or indirectly into polymer simulation software. Examples are provided from the various eras of polymer modeling outlined above, and possible future developments are discussed.
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