News and Events
User Group Meeting 2020
This year's UGM is planned for October 13 - 15 in San Diego, CA, USA.
Recent Webinars
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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MedeA 3.0 Getting to Science Faster
See why the MedeA 3.0 is the most substantial new software release of the MedeA Environment! Discover the new features and enhancements including the new GUI theme, Builders and Editors, Engines, Property Modules, High-throughput, Forcefields, Analysis Tools, and more.
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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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Thermodynamic Properties of Multifunctional Polycyclic Compounds from Simulation
Dr. Philippe Ungerer will demonstrate how to predict thermodynamic properties of organic molecules of complex structure, particularly representative in heavy compounds (C10-C36) of petroleum fluids using Monte Carlo methods, United Atom forcefields and quantum chemistry.
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MedeA Deposition: Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips
Learn how to use the new MedeA Deposition module available in MedeA 2.22 to deposit gas-phase molecules on to substrates using classical forcefields.
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